Firsocostat
2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
Molecular Identity
Firsocostat
2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
PubChem CID: 71528744
2D Structure
Properties
C28H31N3O8S
Molecular Formula
569.60
Molecular Weight
g/mol
569.1832
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
160
TPSA
May have limited oral absorption
1
H-Bond Donors
10
H-Bond Acceptors
947
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(SC2=C1C(=O)N(C(=O)N2CC(C3=CC=CC=C3OC)OC4CCOCC4)C(C)(C)C(=O)O)C5=NC=CO5Isomeric SMILES
SMILES: CC1=C(SC2=C1C(=O)N(C(=O)N2C[C@@H](C3=CC=CC=C3OC)OC4CCOCC4)C(C)(C)C(=O)O)C5=NC=CO5Synonyms(20)
Firsocostat1434635-54-7ND-630GS-ACCNDI-010976GS-0976XE10NJQ95M2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid1,4-Dihydro-1-((2R)-2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-alpha,alpha,5-trimethyl-6-(2-oxazolyl)-2,4-dioxothieno(2,3-d)pyrimidine-3(2H)-acetic acid1,4-Dihydro-1-[(2R)-2-(2-methoxyphenyl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]ethyl]-alpha,alpha,5-trimethyl-6-(2-oxazolyl)-2,4-dioxothieno[2,3-d]pyrimidine-3(2H)-acetic acid2-(1-((2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl)-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno(2,3-d)pyrimidin-3-yl)-2-methylpropanoic acidfirsocostatumRefChem:921616(R)-2-(1-(2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-5-methyl-6-(oxazol-2-yl)-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl)-2-methylpropanoic acidFirsocostat [USAN]
Data from PubChem (NCBI)
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