N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-1-(4-methylphenyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-1-(4-methylphenyl)pyrrolidine-3-carboxamide
N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-1-(4-methylphenyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | L150-0168 |
| Compound Name: | N-{2-[(3-bromo-1-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]phenyl}-1-(4-methylphenyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 472.41 |
| Molecular Formula: | C21 H22 Br N5 O S |
| Smiles: | Cc1ccc(cc1)N1CCC(C1)C(Nc1ccccc1Sc1nc(nn1C)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3716 |
| logD: | 4.3708 |
| logSw: | -4.1005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.738 |
| InChI Key: | HOEJTGBNVQUSEN-HNNXBMFYSA-N |