N-{[4-benzyl-5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[4-benzyl-5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
N-{[4-benzyl-5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide
Compound characteristics
Compound ID: | A0070994 |
Compound Name: | N-{[4-benzyl-5-({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide |
Molecular Weight: | 685.6 |
Molecular Formula: | C33 H29 Br N6 O4 S |
Smiles: | COc1ccc(cc1)C1CC(c2ccc(cc2)[Br])=NN1C(CSc1nnc(CNC(c2ccco2)=O)n1Cc1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.8314 |
logD: | 5.8314 |
logSw: | -5.594 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 92.373 |
InChI Key: | BPOGCNFCEMZMBJ-MUUNZHRXSA-N |