methyl 3-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0198 |
| Compound Name: | methyl 3-{3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(CCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4371 |
| logD: | 2.4319 |
| logSw: | -3.002 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.95 |
| InChI Key: | VOOZWTJZFNOTJD-UHFFFAOYSA-N |