N-(4-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
N-(4-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide
N-(4-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | V029-0278 |
| Compound Name: | N-(4-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-2-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C27 H26 N4 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(CC(Nc2ccc(cc2)N2CCCN(Cc3ccccc3C#N)C2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1889 |
| logD: | 4.1889 |
| logSw: | -4.3409 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.275 |
| InChI Key: | KJYWXXNZPMIBNR-UHFFFAOYSA-N |