3-methyl-4-(3-methylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
3-methyl-4-(3-methylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
3-methyl-4-(3-methylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C066-3524 |
| Compound Name: | 3-methyl-4-(3-methylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 461.63 |
| Molecular Formula: | C26 H31 N5 O S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5652 |
| logD: | 4.5582 |
| logSw: | -4.198 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.097 |
| InChI Key: | TXNOXGJQTIWQHI-IBGZPJMESA-N |