5-ethyl-N-(4-methoxy-2-methylphenyl)-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-methoxy-2-methylphenyl)-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
5-ethyl-N-(4-methoxy-2-methylphenyl)-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0421 |
| Compound Name: | 5-ethyl-N-(4-methoxy-2-methylphenyl)-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(cc1C)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0997 |
| logD: | 4.0997 |
| logSw: | -4.2071 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.515 |
| InChI Key: | RTMWWVBCISNNFV-QFIPXVFZSA-N |