N-{[4-methyl-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[4-methyl-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
N-{[4-methyl-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | A0070621 |
| Compound Name: | N-{[4-methyl-5-({2-[5-(4-methylphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide |
| Molecular Weight: | 677.87 |
| Molecular Formula: | C32 H35 N7 O4 S3 |
| Smiles: | Cc1ccc(cc1)C1CC(c2cccs2)=NN1C(CSc1nnc(CNC(c2ccc(cc2)S(N2CCCCC2)(=O)=O)=O)n1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4375 |
| logD: | 4.4375 |
| logSw: | -4.0794 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.062 |
| InChI Key: | AEJYBVFILABKMI-MHZLTWQESA-N |