methyl 3-{3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0446 |
| Compound Name: | methyl 3-{3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 549.05 |
| Molecular Formula: | C28 H25 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(c1cccc(c1)N1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8183 |
| logD: | 4.7896 |
| logSw: | -4.8749 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.488 |
| InChI Key: | NHZZGAYUWGTFRB-UHFFFAOYSA-N |