methyl 3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0068 |
| Compound Name: | methyl 3-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.6151 |
| logD: | 3.6048 |
| logSw: | -4.2411 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.412 |
| InChI Key: | SCPOEOCRBJZYGG-UHFFFAOYSA-N |