2-(pyridin-3-yl)-7-{[4-(trifluoromethoxy)phenyl]acetyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(pyridin-3-yl)-7-{[4-(trifluoromethoxy)phenyl]acetyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(pyridin-3-yl)-7-{[4-(trifluoromethoxy)phenyl]acetyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | CM2409-4282 |
| Compound Name: | 2-(pyridin-3-yl)-7-{[4-(trifluoromethoxy)phenyl]acetyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 444.41 |
| Molecular Formula: | C22 H19 F3 N4 O3 |
| Smiles: | C1CN(CCC2=C1C(NC(c1cccnc1)=N2)=O)C(Cc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2958 |
| logD: | 1.718 |
| logSw: | -2.3822 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.576 |
| InChI Key: | FYNHYCRABDHBEK-UHFFFAOYSA-N |