ethyl 1-{3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-3-carboxylate
ethyl 1-{3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | K288-0822 |
| Compound Name: | ethyl 1-{3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-3-carboxylate |
| Molecular Weight: | 485.99 |
| Molecular Formula: | C24 H24 Cl N3 O4 S |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9504 |
| logD: | 3.9502 |
| logSw: | -4.3724 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.653 |
| InChI Key: | XQWYRFGMKWXONW-KRWDZBQOSA-N |