methyl 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3915 |
| Compound Name: | methyl 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 472.99 |
| Molecular Formula: | C23 H25 Cl N4 O3 S |
| Smiles: | COC(c1ccc2C(N(CCCN3CCN(CC3)c3cccc(c3)[Cl])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0408 |
| logD: | 3.5977 |
| logSw: | -4.3362 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.713 |
| InChI Key: | ZUZNJYYQLXRWES-UHFFFAOYSA-N |