methyl 4-oxo-3-{[4-(piperidine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{[4-(piperidine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{[4-(piperidine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3628 |
| Compound Name: | methyl 4-oxo-3-{[4-(piperidine-1-carbonyl)phenyl]methyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(N3CCCCC3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4616 |
| logD: | 3.4602 |
| logSw: | -3.712 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.14 |
| InChI Key: | CBOXUZINLLUHFA-UHFFFAOYSA-N |