methyl 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0377 |
| Compound Name: | methyl 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C29 H27 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)C(N1CCC(CC1)Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8411 |
| logD: | 4.8198 |
| logSw: | -4.713 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.257 |
| InChI Key: | ATJOQUXRKFCOJW-UHFFFAOYSA-N |