ethyl 2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
ethyl 2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V011-1642 |
| Compound Name: | ethyl 2-{[5-cyclohexyl-4-(3,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pentanoate |
| Molecular Weight: | 456.43 |
| Molecular Formula: | C21 H27 Cl2 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCCC(C(=O)OCC)Sc1nnc(C2CCCCC2)n1c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0433 |
| logD: | 7.0433 |
| logSw: | -6.4501 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.93 |
| InChI Key: | KMFQWMIXKCQVAN-SFHVURJKSA-N |