5-methyl-12-oxo-N-(4-phenoxyphenyl)-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
5-methyl-12-oxo-N-(4-phenoxyphenyl)-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
5-methyl-12-oxo-N-(4-phenoxyphenyl)-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0139 |
| Compound Name: | 5-methyl-12-oxo-N-(4-phenoxyphenyl)-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C27 H27 N3 O3 |
| Smiles: | CN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(cc1)Oc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9406 |
| logD: | 4.9406 |
| logSw: | -4.553 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.458 |
| InChI Key: | NGGJUJARFYYOGK-VWLOTQADSA-N |