4-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
4-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
4-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V006-8071 |
| Compound Name: | 4-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole |
| Molecular Weight: | 392.3 |
| Molecular Formula: | C18 H15 Cl2 N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccc(c(c1)[Cl])[Cl])SCC=C |
| Stereo: | ACHIRAL |
| logP: | 5.8555 |
| logD: | 5.8555 |
| logSw: | -6.2514 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.528 |
| InChI Key: | IMZRNWBYGNBNDI-UHFFFAOYSA-N |