N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-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-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-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: | E213-0591 |
| Compound Name: | N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C22 H19 F N4 O3 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(Nc1cc(c2cccc(c2)F)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.889 |
| logD: | 3.8256 |
| logSw: | -4.0627 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.994 |
| InChI Key: | MDGAUCSPIZAJPL-UHFFFAOYSA-N |