N-(3-{3-[(4-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-(3-{3-[(4-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(trifluoromethyl)benzamide
N-(3-{3-[(4-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V029-0457 |
| Compound Name: | N-(3-{3-[(4-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 478.47 |
| Molecular Formula: | C26 H21 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2ccc(C#N)cc2)C(N(C1)c1cccc(c1)NC(c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9169 |
| logD: | 4.9152 |
| logSw: | -4.9581 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.944 |
| InChI Key: | LXJXOFRTKFNXTE-UHFFFAOYSA-N |