methyl 4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0469 |
| Compound Name: | methyl 4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C28 H26 N4 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(N3CCN(CC3)c3ccccc3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0969 |
| logD: | 4.0955 |
| logSw: | -4.188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.4 |
| InChI Key: | LSSBJACZGBMRKY-UHFFFAOYSA-N |