N-ethyl-N-(3-ethylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-ethyl-N-(3-ethylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-ethyl-N-(3-ethylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0462 |
| Compound Name: | N-ethyl-N-(3-ethylphenyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C24 H27 N3 O2 |
| Smiles: | CCc1cccc(c1)N(CC)C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9448 |
| logD: | 3.9448 |
| logSw: | -3.9286 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.067 |
| InChI Key: | YBWCGEUKNAHELY-UHFFFAOYSA-N |