methyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0057 |
| Compound Name: | methyl 4-oxo-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | COC(c1ccc2C(N(CCN3CCN(CC3)c3ccccc3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2497 |
| logD: | 3.193 |
| logSw: | -3.5403 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.713 |
| InChI Key: | ZGJCACXIPKJIAO-UHFFFAOYSA-N |