N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-(propan-2-yl)thiourea
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-(propan-2-yl)thiourea
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-(propan-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3409 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-(propan-2-yl)thiourea |
| Molecular Weight: | 330.45 |
| Molecular Formula: | C17 H22 N4 O S |
| Smiles: | CC(C)NC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.6088 |
| logD: | 2.6087 |
| logSw: | -3.3987 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.11 |
| InChI Key: | IPJRCBVOFJRYJO-UHFFFAOYSA-N |