3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Chemical Structure Depiction of
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Compound characteristics
| Compound ID: | C849-0507 |
| Compound Name: | 3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C26 H30 N4 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5721 |
| logD: | 3.572 |
| logSw: | -3.6405 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.327 |
| InChI Key: | CJNZPBNXFBSHEZ-UHFFFAOYSA-N |