2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V019-2262 |
| Compound Name: | 2-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C18 H22 N4 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc(n1CC=C)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4544 |
| logD: | 3.4544 |
| logSw: | -3.6292 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.978 |
| InChI Key: | WBHDCGPZTBOVKN-UHFFFAOYSA-N |