5-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Chemical Structure Depiction of
5-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
5-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Compound characteristics
| Compound ID: | S413-0443 |
| Compound Name: | 5-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one |
| Molecular Weight: | 432.57 |
| Molecular Formula: | C26 H32 N4 O2 |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)C(c1ccc2C(N3CCCCCC3N(C)c2c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3253 |
| logD: | 3.3253 |
| logSw: | -3.6412 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.528 |
| InChI Key: | IXSIRFOBRJEKOS-DEOSSOPVSA-N |