N-(3-chloro-4-fluorophenyl)-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
N-(3-chloro-4-fluorophenyl)-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SA53-1272 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 422.89 |
| Molecular Formula: | C19 H24 Cl F N6 O2 |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)C(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6298 |
| logD: | 2.6291 |
| logSw: | -3.5722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.791 |
| InChI Key: | OXVFHHYLNLRAIL-INIZCTEOSA-N |