{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetic acid
{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | Y042-2933 |
| Compound Name: | {[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}acetic acid |
| Molecular Weight: | 250.27 |
| Molecular Formula: | C11 H10 N2 O3 S |
| Smiles: | C(C1NC(c2ccccc2N=1)=O)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.546 |
| logD: | -2.9345 |
| logSw: | -2.3019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.556 |
| InChI Key: | JOCGAEKYARPXQC-UHFFFAOYSA-N |