4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxylic acid
4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K287-0241 |
| Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxylic acid |
| Molecular Weight: | 318.39 |
| Molecular Formula: | C16 H18 N2 O3 S |
| Smiles: | C1CC(CCC1CN1C(c2ccccc2NC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7013 |
| logD: | 0.141 |
| logSw: | -3.4575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.918 |
| InChI Key: | VXXLIOIHIURFSO-UHFFFAOYSA-N |