N-(2-methylpropyl)-4-({[5-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2-methylpropyl)-4-({[5-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2-methylpropyl)-4-({[5-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V030-0259 |
| Compound Name: | N-(2-methylpropyl)-4-({[5-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 372.53 |
| Molecular Formula: | C20 H28 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccc(CSc2nnc(C(C)C)n2CC=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6083 |
| logD: | 3.6082 |
| logSw: | -3.7175 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.176 |
| InChI Key: | DOALXBHNYNARRX-UHFFFAOYSA-N |