3-chloro-N-{[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
3-chloro-N-{[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
3-chloro-N-{[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 8016-8022 |
| Compound Name: | 3-chloro-N-{[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 308.79 |
| Molecular Formula: | C13 H13 Cl N4 O S |
| Smiles: | [H]Sc1nnc(CNC(c2cccc(c2)[Cl])=O)n1CC=C |
| Stereo: | ACHIRAL |
| logP: | 2.0391 |
| logD: | 1.6147 |
| logSw: | -2.9964 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.625 |
| InChI Key: | CEGDFYPKKNCXRE-UHFFFAOYSA-N |