N-(3,4-dichlorophenyl)-12-oxo-N-propyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-12-oxo-N-propyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(3,4-dichlorophenyl)-12-oxo-N-propyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0512 |
| Compound Name: | N-(3,4-dichlorophenyl)-12-oxo-N-propyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 444.36 |
| Molecular Formula: | C23 H23 Cl2 N3 O2 |
| Smiles: | CCCN(C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8431 |
| logD: | 4.8431 |
| logSw: | -4.9142 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.321 |
| InChI Key: | GTJPUHCLQSDLFE-UHFFFAOYSA-N |