2-(dimethylamino)-7-{[4-(trifluoromethoxy)phenyl]methyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(dimethylamino)-7-{[4-(trifluoromethoxy)phenyl]methyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(dimethylamino)-7-{[4-(trifluoromethoxy)phenyl]methyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-2639 |
| Compound Name: | 2-(dimethylamino)-7-{[4-(trifluoromethoxy)phenyl]methyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 382.38 |
| Molecular Formula: | C18 H21 F3 N4 O2 |
| Smiles: | CN(C)C1NC(C2CCN(CCC=2N=1)Cc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5947 |
| logD: | 2.2534 |
| logSw: | -3.0515 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.088 |
| InChI Key: | LMQQKNQOKQHEKC-UHFFFAOYSA-N |