Molecules/3-[(4-Bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid
3-[(4-Bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid
3-[(4-bromobenzoyl)amino]-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]benzoic acid
Molecular Identity
3-[(4-Bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid
3-[(4-bromobenzoyl)amino]-4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]benzoic acid
PubChem CID: 169488756
2D Structure
Properties
C25H23BrClN3O3
Molecular Formula
528.80
Molecular Weight
g/mol
527.0611
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
72.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
682
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NC(=O)C4=CC=C(C=C4)BrIsomeric SMILES
SMILES: CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NC(=O)C4=CC=C(C=C4)BrSynonyms(5)
3-[(4-bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acidCHEMBL5411244SCHEMBL29204831SCHEMBL30883139MBI
Data from PubChem (NCBI)
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Molecular Structure
3-[(4-Bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid
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Drug Network
Trials and conditions connected to 3-[(4-Bromophenyl)carbonylamino]-4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]benzoic acid
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