ethyl 1-(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)piperidine-4-carboxylate
ethyl 1-(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | E213-0344 |
| Compound Name: | ethyl 1-(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)piperidine-4-carboxylate |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | CCOC(C1CCN(CC1)C(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.462 |
| logD: | 2.462 |
| logSw: | -2.3599 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.024 |
| InChI Key: | RJVBDHABHBCREJ-UHFFFAOYSA-N |