2-({[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
2-({[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
2-({[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-5045 |
| Compound Name: | 2-({[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C20 H21 N5 O S |
| Smiles: | Cc1nnc(n1CC=C)SCc1ccccc1C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2763 |
| logD: | 2.2729 |
| logSw: | -2.6835 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.109 |
| InChI Key: | VFRUAQUGIHZITE-UHFFFAOYSA-N |