3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Chemical Structure Depiction of
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Compound characteristics
| Compound ID: | S413-0259 |
| Compound Name: | 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C25 H29 F N4 O2 |
| Smiles: | CN1C2CCCCCN2C(c2ccc(cc12)C(N1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0334 |
| logD: | 3.0334 |
| logSw: | -3.3595 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.528 |
| InChI Key: | JTMLVCBFHOCROC-QHCPKHFHSA-N |