N-(2-chloro-4-methylphenyl)-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
N-(2-chloro-4-methylphenyl)-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SA53-1358 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 418.93 |
| Molecular Formula: | C20 H27 Cl N6 O2 |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)C(Nc1ccc(C)cc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0195 |
| logD: | 3.0188 |
| logSw: | -3.4461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.094 |
| InChI Key: | HGIBXPWHYOZVOV-KRWDZBQOSA-N |