3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Chemical Structure Depiction of
3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Compound characteristics
| Compound ID: | C849-0500 |
| Compound Name: | 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one |
| Molecular Weight: | 450.97 |
| Molecular Formula: | C25 H27 Cl N4 O2 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6968 |
| logD: | 3.6967 |
| logSw: | -4.1046 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.327 |
| InChI Key: | UVLKJZMDZRSECC-UHFFFAOYSA-N |