Molecules/{[2-({[5-(2,6-Dichlorophenyl)-1,2,4-Triazin-3-Yl]amino}methyl)-1,3-Benzothiazol-5-Yl]oxy}acetic Acid
{[2-({[5-(2,6-Dichlorophenyl)-1,2,4-Triazin-3-Yl]amino}methyl)-1,3-Benzothiazol-5-Yl]oxy}acetic Acid
2-[[2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-yl]oxy]acetic acid
Molecular Identity
{[2-({[5-(2,6-Dichlorophenyl)-1,2,4-Triazin-3-Yl]amino}methyl)-1,3-Benzothiazol-5-Yl]oxy}acetic Acid
2-[[2-[[[5-(2,6-dichlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-yl]oxy]acetic acid
PubChem CID: 68610299
2D Structure
Properties
C19H13Cl2N5O3S
Molecular Formula
462.30
Molecular Weight
g/mol
461.0116
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
138
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
584
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C(=C1)Cl)C2=CN=NC(=N2)NCC3=NC4=C(S3)C=CC(=C4)OCC(=O)O)ClIsomeric SMILES
SMILES: C1=CC(=C(C(=C1)Cl)C2=CN=NC(=N2)NCC3=NC4=C(S3)C=CC(=C4)OCC(=O)O)ClSynonyms(6)
CHEMBL2312560{[2-({[5-(2,6-Dichlorophenyl)-1,2,4-Triazin-3-Yl]amino}methyl)-1,3-Benzothiazol-5-Yl]oxy}acetic AcidSCHEMBL3354734BDBM50425038Q27461410IHC
Data from PubChem (NCBI)
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Molecular Structure
{[2-({[5-(2,6-Dichlorophenyl)-1,2,4-Triazin-3-Yl]amino}methyl)-1,3-Benzothiazol-5-Yl]oxy}acetic Acid
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Drug Network
Trials and conditions connected to {[2-({[5-(2,6-Dichlorophenyl)-1,2,4-Triazin-3-Yl]amino}methyl)-1,3-Benzothiazol-5-Yl]oxy}acetic Acid
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