3-[4-(4-methoxyphenyl)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-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Compound characteristics
| Compound ID: | S413-0296 |
| Compound Name: | 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C26 H32 N4 O3 |
| Smiles: | CN1C2CCCCCN2C(c2ccc(cc12)C(N1CCN(CC1)c1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9867 |
| logD: | 2.9867 |
| logSw: | -3.3827 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.072 |
| InChI Key: | NYDHBIRIEVIAOF-DEOSSOPVSA-N |