N-(3,4-dimethylphenyl)-N-ethyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-N-ethyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(3,4-dimethylphenyl)-N-ethyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0485 |
| Compound Name: | N-(3,4-dimethylphenyl)-N-ethyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C24 H27 N3 O2 |
| Smiles: | CCN(C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)c1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1884 |
| logD: | 4.1884 |
| logSw: | -4.1709 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.067 |
| InChI Key: | ITZRLOZJOQCHJD-UHFFFAOYSA-N |