methyl 3-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K287-0271 |
| Compound Name: | methyl 3-(2,2-dimethoxyethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 324.35 |
| Molecular Formula: | C14 H16 N2 O5 S |
| Smiles: | COC(CN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.4671 |
| logD: | 1.463 |
| logSw: | -2.4874 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.258 |
| InChI Key: | LEUBLNPTNIWHKR-UHFFFAOYSA-N |