N-[3-(4-methylpiperazin-1-yl)propyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Chemical Structure Depiction of
N-[3-(4-methylpiperazin-1-yl)propyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
N-[3-(4-methylpiperazin-1-yl)propyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea
Compound characteristics
| Compound ID: | C066-3491 |
| Compound Name: | N-[3-(4-methylpiperazin-1-yl)propyl]-N'-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)thiourea |
| Molecular Weight: | 428.6 |
| Molecular Formula: | C22 H32 N6 O S |
| Smiles: | CN1CCN(CCCNC(Nc2ccc3c(c2)C(N2CCCCCC2=N3)=O)=S)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.3644 |
| logD: | 0.35 |
| logSw: | -2.4225 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.165 |
| InChI Key: | HTUCRIZYKWMMDU-UHFFFAOYSA-N |