N,3-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
N,3-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N,3-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0427 |
| Compound Name: | N,3-dimethyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 435.47 |
| Molecular Formula: | C21 H20 F3 N3 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N(C)c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9941 |
| logD: | 3.9941 |
| logSw: | -4.2065 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.991 |
| InChI Key: | AJHDNFBWWDXNCY-UHFFFAOYSA-N |