methyl 4-oxo-3-(2-oxo-2-{[2-(4-phenylpiperazin-1-yl)ethyl]amino}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(2-oxo-2-{[2-(4-phenylpiperazin-1-yl)ethyl]amino}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(2-oxo-2-{[2-(4-phenylpiperazin-1-yl)ethyl]amino}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0138 |
| Compound Name: | methyl 4-oxo-3-(2-oxo-2-{[2-(4-phenylpiperazin-1-yl)ethyl]amino}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C24 H27 N5 O4 S |
| Smiles: | COC(c1ccc2C(N(CC(NCCN3CCN(CC3)c3ccccc3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1771 |
| logD: | 2.096 |
| logSw: | -3.2179 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.048 |
| InChI Key: | IGQGNGILXGJTQT-UHFFFAOYSA-N |