5-methyl-3-(4-phenylpiperazine-1-carbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Chemical Structure Depiction of
5-methyl-3-(4-phenylpiperazine-1-carbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
5-methyl-3-(4-phenylpiperazine-1-carbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Compound characteristics
| Compound ID: | S413-0550 |
| Compound Name: | 5-methyl-3-(4-phenylpiperazine-1-carbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C25 H30 N4 O2 |
| Smiles: | CN1C2CCCCCN2C(c2ccc(cc12)C(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8828 |
| logD: | 2.8828 |
| logSw: | -3.4844 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.528 |
| InChI Key: | OMCOUOIPFNGOKW-QHCPKHFHSA-N |