5-ethyl-N-[(4-ethylphenyl)methyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
5-ethyl-N-[(4-ethylphenyl)methyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
5-ethyl-N-[(4-ethylphenyl)methyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0415 |
| Compound Name: | 5-ethyl-N-[(4-ethylphenyl)methyl]-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C25 H31 N3 O2 |
| Smiles: | CCc1ccc(CNC(c2ccc3C(N4CCCCCC4N(CC)c3c2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4686 |
| logD: | 4.4686 |
| logSw: | -4.2178 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.992 |
| InChI Key: | DDFYAANUMJKPTL-QHCPKHFHSA-N |