methyl 3-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0442 |
| Compound Name: | methyl 3-{3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 518.57 |
| Molecular Formula: | C27 H23 F N4 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(N1CCN(CC1)c1ccccc1F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7142 |
| logD: | 3.6855 |
| logSw: | -4.0649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.488 |
| InChI Key: | PGWHBLGGAAVAEP-UHFFFAOYSA-N |