2-({[5-(2-chlorophenyl)-4-(3-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-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(3RS)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide
2-({[5-(2-chlorophenyl)-4-(3-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: | V006-7634 |
Compound Name: | 2-({[5-(2-chlorophenyl)-4-(3-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])n2c2cccc(c2)[Cl])n1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9824 |
logD: | 4.9823 |
logSw: | -4.9808 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.153 |
InChI Key: | VPIMJXMPHNXTDH-IBGZPJMESA-N |