N-{[4-benzyl-5-({2-[5-(2,3-dimethoxyphenyl)-3-(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-[5-(2,3-dimethoxyphenyl)-3-(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-[5-(2,3-dimethoxyphenyl)-3-(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: | A0070999 |
Compound Name: | N-{[4-benzyl-5-({2-[5-(2,3-dimethoxyphenyl)-3-(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: | 666.76 |
Molecular Formula: | C35 H34 N6 O6 S |
Smiles: | COc1ccc(cc1)C1CC(c2cccc(c2OC)OC)N(C(CSc2nnc(CNC(c3ccco3)=O)n2Cc2ccccc2)=O)N=1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8812 |
logD: | 4.8812 |
logSw: | -4.6519 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 107.72 |
InChI Key: | HDJXZWPIVIZJLC-NDEPHWFRSA-N |