N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
Compound ID: | A0070860 |
Compound Name: | N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide |
Molecular Weight: | 673.21 |
Molecular Formula: | C33 H29 Cl N6 O4 S2 |
Smiles: | COc1ccc(cc1)C1CC(c2ccc(cc2)OC)=NN1C(CSc1nnc(CNC(c2cccs2)=O)n1c1cccc(c1)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.061 |
logD: | 6.061 |
logSw: | -6.3647 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 93.1 |
InChI Key: | LLZVQVFVEDHQJV-NDEPHWFRSA-N |