N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C066-3594 |
| Compound Name: | N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 487.65 |
| Molecular Formula: | C29 H37 N5 O2 |
| Smiles: | CC1CN(CCCNC(c2ccc3C(N4CCCCCC4=Nc3c2)=O)=O)CCN1c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2783 |
| logD: | 2.7519 |
| logSw: | -3.6013 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.436 |
| InChI Key: | PTFUOMLHRCIIIB-QFIPXVFZSA-N |