N-(2-methylpropyl)-2-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2-methylpropyl)-2-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2-methylpropyl)-2-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-8183 |
| Compound Name: | N-(2-methylpropyl)-2-({[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 412.57 |
| Molecular Formula: | C21 H24 N4 O S2 |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1ccccc1CSc1nnc(c2cccs2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9749 |
| logD: | 4.9749 |
| logSw: | -4.5643 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.922 |
| InChI Key: | GBTSFQSEJGCIRT-UHFFFAOYSA-N |