N-(3-ethylphenyl)-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-ethylphenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-(3-ethylphenyl)-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: | E213-0487 |
| Compound Name: | N-(3-ethylphenyl)-3-methyl-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: | CCc1cccc(c1)NC(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9558 |
| logD: | 3.9553 |
| logSw: | -4.0221 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.713 |
| InChI Key: | ICVXGAYOTBPWKK-UHFFFAOYSA-N |