N-butyl-N-ethyl-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-butyl-N-ethyl-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-butyl-N-ethyl-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3549 |
| Compound Name: | N-butyl-N-ethyl-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 372.53 |
| Molecular Formula: | C20 H28 N4 O S |
| Smiles: | CCCCN(CC)C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.9718 |
| logD: | 3.9717 |
| logSw: | -4.0044 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.155 |
| InChI Key: | ZRTWVDMTJYVSDP-UHFFFAOYSA-N |