2-(dimethylamino)-7-[(2,4,5-trifluorophenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(dimethylamino)-7-[(2,4,5-trifluorophenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(dimethylamino)-7-[(2,4,5-trifluorophenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-1701 |
| Compound Name: | 2-(dimethylamino)-7-[(2,4,5-trifluorophenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 352.36 |
| Molecular Formula: | C17 H19 F3 N4 O |
| Smiles: | CN(C)C1NC(C2CCN(CCC=2N=1)Cc1cc(c(cc1F)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9287 |
| logD: | 1.8355 |
| logSw: | -2.6167 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.151 |
| InChI Key: | RAXVYTJQECSWAN-UHFFFAOYSA-N |