methyl 3-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0038 |
| Compound Name: | methyl 3-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C18 H24 N4 O3 S |
| Smiles: | CN1CCN(CCCN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.64 |
| logD: | 0.6259 |
| logSw: | -2.6037 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.929 |
| InChI Key: | WPRKMCVCFYHEDV-UHFFFAOYSA-N |