methyl 3-(3,3-diethoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(3,3-diethoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(3,3-diethoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-4429 |
| Compound Name: | methyl 3-(3,3-diethoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 366.43 |
| Molecular Formula: | C17 H22 N2 O5 S |
| Smiles: | CCOC(CCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.5463 |
| logD: | 2.5421 |
| logSw: | -3.0775 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.396 |
| InChI Key: | XTCCNDQAQVYSBH-UHFFFAOYSA-N |