6-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]hexanoic acid
Chemical Structure Depiction of
6-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]hexanoic acid
6-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]hexanoic acid
Compound characteristics
| Compound ID: | K284-0504 |
| Compound Name: | 6-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]hexanoic acid |
| Molecular Weight: | 350.39 |
| Molecular Formula: | C16 H18 N2 O5 S |
| Smiles: | COC(c1ccc2C(N(CCCCCC(O)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1632 |
| logD: | -0.665 |
| logSw: | -3.0128 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.126 |
| InChI Key: | XMPLMDFRCFNLJA-UHFFFAOYSA-N |