ethyl N-(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)alaninate
Chemical Structure Depiction of
ethyl N-(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)alaninate
ethyl N-(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)alaninate
Compound characteristics
| Compound ID: | E213-0549 |
| Compound Name: | ethyl N-(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)alaninate |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Smiles: | CCOC(C(C)NC(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0832 |
| logD: | 2.0832 |
| logSw: | -2.4298 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.224 |
| InChI Key: | MDHZDLOHHOGTKD-NSHDSACASA-N |