(3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
(3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V030-6922 |
| Compound Name: | (3-{[(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}phenyl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C22 H24 N4 O S |
| Smiles: | Cc1nnc(n1Cc1ccccc1)SCc1cccc(c1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1143 |
| logD: | 3.1143 |
| logSw: | -3.2079 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.032 |
| InChI Key: | NOJYWCNQGBCBQN-UHFFFAOYSA-N |