2-({[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(3RS)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
2-({[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(3RS)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide
2-({[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(3RS)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V001-6267 |
| Compound Name: | 2-({[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(3RS)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 573.52 |
| Molecular Formula: | C25 H22 Cl2 N6 O2 S2 |
| Salt: | not_available |
| Smiles: | [H][C@@]1(CCCCNC1=O)NC(c1csc(CSc2nnc(c3ccccc3[Cl])n2c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7643 |
| logD: | 4.7643 |
| logSw: | -4.8759 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.852 |
| InChI Key: | KLHLGEJDAPHYMP-SFHVURJKSA-N |