methyl 3-[(5-methylfuran-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(5-methylfuran-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[(5-methylfuran-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0053 |
| Compound Name: | methyl 3-[(5-methylfuran-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 330.36 |
| Molecular Formula: | C16 H14 N2 O4 S |
| Smiles: | Cc1ccc(CN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.1545 |
| logD: | 3.1526 |
| logSw: | -3.3908 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.755 |
| InChI Key: | FHLJGWKENGOGSM-UHFFFAOYSA-N |