N-(3-acetylphenyl)-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-acetylphenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-(3-acetylphenyl)-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: | E213-0540 |
| Compound Name: | N-(3-acetylphenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | CC(c1cccc(c1)NC(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9063 |
| logD: | 2.8633 |
| logSw: | -3.339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.54 |
| InChI Key: | MMMNRDSZVHCNKO-UHFFFAOYSA-N |