N-(3,4-dimethoxyphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(3,4-dimethoxyphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0072 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C23 H27 N3 O4 |
| Smiles: | CN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7854 |
| logD: | 2.7854 |
| logSw: | -3.4875 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.971 |
| InChI Key: | YIGJARRBTSYGFW-NRFANRHFSA-N |