methyl 3-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3701 |
| Compound Name: | methyl 3-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 527.64 |
| Molecular Formula: | C30 H29 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(N3CCC(CC3)Cc3ccccc3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4324 |
| logD: | 5.4311 |
| logSw: | -5.5173 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.868 |
| InChI Key: | UDZKZGXYZXQEJV-UHFFFAOYSA-N |