ethyl 4-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)piperazine-1-carboxylate
ethyl 4-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | Y504-5296 |
| Compound Name: | ethyl 4-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3166 |
| logD: | 1.3166 |
| logSw: | -2.3847 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.148 |
| InChI Key: | MGVKTVBOXBTWNI-UHFFFAOYSA-N |