2-({[4-(5-chloro-2-methylphenyl)-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
2-({[4-(5-chloro-2-methylphenyl)-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
2-({[4-(5-chloro-2-methylphenyl)-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V013-4290 |
| Compound Name: | 2-({[4-(5-chloro-2-methylphenyl)-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 640.61 |
| Molecular Formula: | C30 H27 Cl2 N5 O3 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccccc2[Cl])nnc1SCc1nc(cs1)C(NCCc1ccc(c(c1)OC)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.4438 |
| logD: | 6.4437 |
| logSw: | -5.9921 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.428 |
| InChI Key: | IQAIFMWSOOWSOT-UHFFFAOYSA-N |