3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Chemical Structure Depiction of
3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Compound characteristics
| Compound ID: | C849-0378 |
| Compound Name: | 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C24 H25 N5 O4 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4614 |
| logD: | 2.4613 |
| logSw: | -2.9842 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.01 |
| InChI Key: | QETSTTREFCEJEF-UHFFFAOYSA-N |