N-{2-[(3,5-dimethyladamantan-1-yl)oxy]ethyl}-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-{2-[(3,5-dimethyladamantan-1-yl)oxy]ethyl}-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-{2-[(3,5-dimethyladamantan-1-yl)oxy]ethyl}-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: | C660-0347 |
| Compound Name: | N-{2-[(3,5-dimethyladamantan-1-yl)oxy]ethyl}-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 483.67 |
| Molecular Formula: | C27 H37 N3 O3 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(NCCOC12CC3CC(C)(CC(C)(C3)C2)C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8204 |
| logD: | 4.8204 |
| logSw: | -4.4277 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.138 |
| InChI Key: | QUPRBRZCVVFCNV-UHFFFAOYSA-N |