N-(2-cyclopentyl-2-phenylethyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-(2-cyclopentyl-2-phenylethyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-(2-cyclopentyl-2-phenylethyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3458 |
| Compound Name: | N-(2-cyclopentyl-2-phenylethyl)-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 460.64 |
| Molecular Formula: | C27 H32 N4 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(NCC(C1CCCC1)c1ccccc1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1178 |
| logD: | 5.1178 |
| logSw: | -4.9869 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.151 |
| InChI Key: | LYORJHKTGGKJNB-HSZRJFAPSA-N |