N-{[5-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{[5-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
N-{[5-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | A0070212 |
| Compound Name: | N-{[5-({2-[3-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide |
| Molecular Weight: | 617.57 |
| Molecular Formula: | C30 H29 Br N6 O2 S |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc(cc2)[Br])=NN1C(CSc1nnc(CNC(c2cccc(C)c2)=O)n1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7083 |
| logD: | 5.7082 |
| logSw: | -5.4154 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.332 |
| InChI Key: | VPYSWJJKBGCUNK-AREMUKBSSA-N |