N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-{3-[(propan-2-yl)oxy]propyl}thiourea
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-{3-[(propan-2-yl)oxy]propyl}thiourea
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-{3-[(propan-2-yl)oxy]propyl}thiourea
Compound characteristics
Compound ID: | C066-3470 |
Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-N'-{3-[(propan-2-yl)oxy]propyl}thiourea |
Molecular Weight: | 388.53 |
Molecular Formula: | C20 H28 N4 O2 S |
Smiles: | CC(C)OCCCNC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S |
Stereo: | ACHIRAL |
logP: | 2.4219 |
logD: | 2.4218 |
logSw: | -3.1725 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 54.179 |
InChI Key: | COZNEFMIWQRBKV-UHFFFAOYSA-N |