N-ethyl-N-(2-fluorophenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
N-ethyl-N-(2-fluorophenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-ethyl-N-(2-fluorophenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0422 |
| Compound Name: | N-ethyl-N-(2-fluorophenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H22 F N3 O2 S |
| Smiles: | CCN(C(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 3.688 |
| logD: | 3.688 |
| logSw: | -4.0634 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.668 |
| InChI Key: | JPYOFJHQSDIELP-UHFFFAOYSA-N |