Azd-1981
2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
Molecular Identity
Azd-1981
2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
PubChem CID: 11292191
2D Structure
Properties
C19H17ClN2O3S
Molecular Formula
388.90
Molecular Weight
g/mol
388.0648
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
96.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
527
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C2=C(C=CC=C2N1CC(=O)O)NC(=O)C)SC3=CC=C(C=C3)ClIsomeric SMILES
SMILES: CC1=C(C2=C(C=CC=C2N1CC(=O)O)NC(=O)C)SC3=CC=C(C=C3)ClSynonyms(20)
AZD1981802904-66-1AZD-1981AZD 19812AD53WQ2CX2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid1H-Indole-1-acetic acid, 4-(acetylamino)-3-((4-chlorophenyl)thio)-2-methyl-2-{3-[(4-chlorophenyl)sulfanyl]-4-acetamido-2-methyl-1H-indol-1-yl}acetic acid2-(4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl)acetic acid2-(3-((4-chlorophenyl)sulfanyl)-4-acetamido-2-methyl-1H-indol-1-yl)acetic acidRefChem:1160322-(4-Acetamido-3-((4-chlorophenyl)thio)-2-methyl-1H-indol-1-yl)acetic acidUNII-2AD53WQ2CXMFCD26936340GTPL7680
Data from PubChem (NCBI)
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