N-(3-{ethyl[(3-methylphenyl)methyl]amino}propyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-(3-{ethyl[(3-methylphenyl)methyl]amino}propyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-(3-{ethyl[(3-methylphenyl)methyl]amino}propyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3506 |
| Compound Name: | N-(3-{ethyl[(3-methylphenyl)methyl]amino}propyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 477.67 |
| Molecular Formula: | C27 H35 N5 O S |
| Smiles: | CCN(CCCNC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S)Cc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2501 |
| logD: | 2.5002 |
| logSw: | -4.0528 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.392 |
| InChI Key: | BXDHIUJYXYNZKE-UHFFFAOYSA-N |