N-benzyl-N,3-dimethyl-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-benzyl-N,3-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-benzyl-N,3-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0345 |
| Compound Name: | N-benzyl-N,3-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N(C)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2872 |
| logD: | 3.2872 |
| logSw: | -3.4869 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.773 |
| InChI Key: | MFLBCZISHJUINT-UHFFFAOYSA-N |