methyl 4-oxo-3-{4-[2-oxo-2-(piperidin-1-yl)ethyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{4-[2-oxo-2-(piperidin-1-yl)ethyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{4-[2-oxo-2-(piperidin-1-yl)ethyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0299 |
| Compound Name: | methyl 4-oxo-3-{4-[2-oxo-2-(piperidin-1-yl)ethyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(CC(N2CCCCC2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1496 |
| logD: | 3.1283 |
| logSw: | -3.4251 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.001 |
| InChI Key: | UKGVJDXJEYHEIX-UHFFFAOYSA-N |