3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Chemical Structure Depiction of
3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Compound characteristics
| Compound ID: | C849-0509 |
| Compound Name: | 3-[4-(4-chlorophenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one |
| Molecular Weight: | 436.94 |
| Molecular Formula: | C24 H25 Cl N4 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(N1CCN(CC1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1304 |
| logD: | 3.1303 |
| logSw: | -3.7344 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.628 |
| InChI Key: | MFZZCCTWQNEDPN-UHFFFAOYSA-N |