N-[4-(morpholine-4-carbonyl)phenyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[4-(morpholine-4-carbonyl)phenyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[4-(morpholine-4-carbonyl)phenyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | Y501-3835 |
| Compound Name: | N-[4-(morpholine-4-carbonyl)phenyl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(Nc1ccc(cc1)C(N1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5353 |
| logD: | 1.5163 |
| logSw: | -2.5088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.368 |
| InChI Key: | NDXJNZQBUDLXQE-UHFFFAOYSA-N |