N-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3,3-dimethylbutanamide
N-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V020-2879 |
| Compound Name: | N-(2-{3-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}-5-methylphenyl)-3,3-dimethylbutanamide |
| Molecular Weight: | 445.96 |
| Molecular Formula: | C24 H29 Cl F N3 O2 |
| Smiles: | Cc1ccc(c(c1)NC(CC(C)(C)C)=O)N1CCCN(Cc2cc(ccc2[Cl])F)C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.6316 |
| logD: | 5.6312 |
| logSw: | -5.8646 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.948 |
| InChI Key: | LMJMNBBBMRNXCQ-UHFFFAOYSA-N |