methyl 4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0016 |
| Compound Name: | methyl 4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 278.33 |
| Molecular Formula: | C13 H14 N2 O3 S |
| Smiles: | CCCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7368 |
| logD: | 2.7326 |
| logSw: | -3.2868 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.742 |
| InChI Key: | PZDFTMSSAJYULY-UHFFFAOYSA-N |