N-[(3,4-dimethylphenyl)methyl]-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-dimethylphenyl)methyl]-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[(3,4-dimethylphenyl)methyl]-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0495 |
| Compound Name: | N-[(3,4-dimethylphenyl)methyl]-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C24 H29 N3 O2 |
| Smiles: | Cc1ccc(CNC(c2ccc3C(N4CCCCCC4N(C)c3c2)=O)=O)cc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9362 |
| logD: | 3.9362 |
| logSw: | -3.9556 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.033 |
| InChI Key: | ADSLNMOPICWWOX-QFIPXVFZSA-N |