N-(3,4-dimethylphenyl)-N-methyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-N-methyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(3,4-dimethylphenyl)-N-methyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0473 |
| Compound Name: | N-(3,4-dimethylphenyl)-N-methyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C23 H25 N3 O2 |
| Smiles: | Cc1ccc(cc1C)N(C)C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6944 |
| logD: | 3.6944 |
| logSw: | -3.8425 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.089 |
| InChI Key: | CVQQFORBQDMPFX-UHFFFAOYSA-N |