methyl 4-oxo-3-[4-(piperidine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-[4-(piperidine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-[4-(piperidine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0356 |
| Compound Name: | methyl 4-oxo-3-[4-(piperidine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)C(N1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8703 |
| logD: | 2.849 |
| logSw: | -3.4615 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.529 |
| InChI Key: | XLFFADZDQVWPKD-UHFFFAOYSA-N |