ethyl 1-{4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}piperidine-4-carboxylate
ethyl 1-{4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | K284-6196 |
| Compound Name: | ethyl 1-{4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}piperidine-4-carboxylate |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C24 H31 N3 O4 S |
| Smiles: | CCOC(C1CCN(CC1)C(C1CCC(CC1)CN1C(c2ccccc2NC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.04 |
| logD: | 4.0389 |
| logSw: | -4.1553 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.912 |
| InChI Key: | YEJSXZGHWVNREJ-UHFFFAOYSA-N |