2-(morpholin-4-yl)-7-{[2-(trifluoromethyl)phenyl]methyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(morpholin-4-yl)-7-{[2-(trifluoromethyl)phenyl]methyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(morpholin-4-yl)-7-{[2-(trifluoromethyl)phenyl]methyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-3166 |
| Compound Name: | 2-(morpholin-4-yl)-7-{[2-(trifluoromethyl)phenyl]methyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 408.42 |
| Molecular Formula: | C20 H23 F3 N4 O2 |
| Smiles: | C1CN(CCC2=C1C(NC(=N2)N1CCOCC1)=O)Cc1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.2962 |
| logD: | 2.2084 |
| logSw: | -3.1046 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.708 |
| InChI Key: | JDLFIWYMRZOIFJ-UHFFFAOYSA-N |