2,4-dichloro-N-{2-[4-(4-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Chemical Structure Depiction of
2,4-dichloro-N-{2-[4-(4-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
2,4-dichloro-N-{2-[4-(4-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | 8015-4712 |
| Compound Name: | 2,4-dichloro-N-{2-[4-(4-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide |
| Molecular Weight: | 423.32 |
| Molecular Formula: | C18 H16 Cl2 N4 O2 S |
| Smiles: | COc1ccc(cc1)n1c(CCNC(c2ccc(cc2[Cl])[Cl])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.4268 |
| logD: | 2.1675 |
| logSw: | -3.9938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.504 |
| InChI Key: | LKNNCADDIJGALR-UHFFFAOYSA-N |