N-(4-{3-[(3,4-dichlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-(4-{3-[(3,4-dichlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3,3-dimethylbutanamide
N-(4-{3-[(3,4-dichlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V021-4552 |
| Compound Name: | N-(4-{3-[(3,4-dichlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3,3-dimethylbutanamide |
| Molecular Weight: | 448.39 |
| Molecular Formula: | C23 H27 Cl2 N3 O2 |
| Smiles: | CC(C)(C)CC(Nc1ccc(cc1)N1CCCN(Cc2ccc(c(c2)[Cl])[Cl])C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7971 |
| logD: | 5.7971 |
| logSw: | -5.9701 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.946 |
| InChI Key: | HNXSHPROLAHZND-UHFFFAOYSA-N |