Rdea806
4-[[2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chlorobenzoic acid
Molecular Identity
Rdea806
4-[[2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chlorobenzoic acid
PubChem CID: 16221816
2D Structure
Properties
C24H18BrClN4O3S
Molecular Formula
557.80
Molecular Weight
g/mol
555.9972
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
122
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
762
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)NC5=C(C=C(C=C5)C(=O)O)ClIsomeric SMILES
SMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)NC5=C(C=C(C=C5)C(=O)O)ClSynonyms(20)
RDEA806RefChem:875196878670-61-2RDEA-806 free acidRDEA 806RDEA-8061004523-72-1363Z97G83I4-(2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-chlorobenzoic acidUNII-363Z97G83IBenzoic acid, 4-((((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)-3-chloro-VRX-8064-(2-(5-Bromo-4-(L-cyclopropylnaphthalen-4-yl)-4H-1,2,4-triazol-3-ylthio) acetamido-3-chlorobenzoic acid4-[[2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-chlorobenzoic acidBenzoic acid, 4-((2-((5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)-3-chloro-
Data from PubChem (NCBI)
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