N-(2,5-dimethoxyphenyl)-N-ethyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-N-ethyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2,5-dimethoxyphenyl)-N-ethyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0487 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-N-ethyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C24 H27 N3 O4 |
| Smiles: | CCN(C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)c1cc(ccc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2342 |
| logD: | 3.2342 |
| logSw: | -3.4771 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.94 |
| InChI Key: | WIHWYMNLMPGWRD-UHFFFAOYSA-N |