2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(prop-2-en-1-yl)acetamide
2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | V012-0318 |
| Compound Name: | 2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-di(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 425.94 |
| Molecular Formula: | C21 H20 Cl N5 O S |
| Salt: | not_available |
| Smiles: | C=CCN(CC=C)C(CSc1nnc(c2cccnc2)n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5096 |
| logD: | 3.5054 |
| logSw: | -3.7652 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.414 |
| InChI Key: | PWYNVZBUMRIAQN-UHFFFAOYSA-N |