methyl 3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0269 |
| Compound Name: | methyl 3-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9376 |
| logD: | 3.9334 |
| logSw: | -3.9888 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.822 |
| InChI Key: | HWVOAALTDQLJGO-UHFFFAOYSA-N |