1427058-33-0
2-[(3S,4R)-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-3-[[1-(cyclohexen-1-ylmethyl)piperidin-4-yl]carbamoyl]-4-methylpyrrolidin-3-yl]acetic acid
Molecular Identity
1427058-33-0
2-[(3S,4R)-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-3-[[1-(cyclohexen-1-ylmethyl)piperidin-4-yl]carbamoyl]-4-methylpyrrolidin-3-yl]acetic acid
PubChem CID: 71293692
2D Structure
Properties
C28H37ClF3N3O3
Molecular Formula
556.10
Molecular Weight
g/mol
555.2476
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
72.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
877
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(18)
1427058-33-0(3S,4R)-1-[[2-Chloro-6-(trifluoromethyl)phenyl]methyl]-3-[[[1-(1-cyclohexen-1-ylmethyl)-4-piperidinyl]amino]carbonyl]-4-methyl-3-pyrrolidineacetic acid(3S,4R)-1-((2-Chloro-6-(trifluoromethyl)phenyl)methyl)-3-(((1-(1-cyclohexen-1-ylmethyl)-4-piperidinyl)amino)carbonyl)-4-methyl-3-pyrrolidineacetic acidRefChem:208331E6130CHEMBL45185562-[(3S,4R)-1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-3-[[1-(cyclohexen-1-ylmethyl)piperidin-4-yl]carbamoyl]-4-methylpyrrolidin-3-yl]acetic acidorb1709808SCHEMBL14760920DTXSID501100199CHC05833AKOS040733057MS-30135HY-107456CS-0028524
Data from PubChem (NCBI)
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