N-(3-{3-[(4-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(3-{3-[(4-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-fluorobenzamide
N-(3-{3-[(4-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | V017-8348 |
| Compound Name: | N-(3-{3-[(4-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-fluorobenzamide |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C25 H21 F N4 O2 |
| Smiles: | C1CN(Cc2ccc(C#N)cc2)C(N(C1)c1cccc(c1)NC(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1425 |
| logD: | 4.1382 |
| logSw: | -4.2288 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.944 |
| InChI Key: | UTNHTIOSIDMRRJ-UHFFFAOYSA-N |