N-(3-fluoro-4-methoxyphenyl)-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(3-fluoro-4-methoxyphenyl)-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
N-(3-fluoro-4-methoxyphenyl)-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | SA53-1274 |
| Compound Name: | N-(3-fluoro-4-methoxyphenyl)-4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H27 F N6 O3 |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)C(Nc1ccc(c(c1)F)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9904 |
| logD: | 1.9897 |
| logSw: | -2.7161 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.422 |
| InChI Key: | MKWHXOSJBLZNKF-INIZCTEOSA-N |