2-chloro-N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)benzamide
Chemical Structure Depiction of
2-chloro-N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)benzamide
2-chloro-N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)benzamide
Compound characteristics
| Compound ID: | V029-0389 |
| Compound Name: | 2-chloro-N-(3-{3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)benzamide |
| Molecular Weight: | 444.92 |
| Molecular Formula: | C25 H21 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2ccccc2C#N)C(N(C1)c1cccc(c1)NC(c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8652 |
| logD: | 4.8609 |
| logSw: | -4.9349 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.944 |
| InChI Key: | JMXANVDPNVAKBI-UHFFFAOYSA-N |