methyl 4-oxo-3-[2-(piperidin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-[2-(piperidin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-[2-(piperidin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0084 |
| Compound Name: | methyl 4-oxo-3-[2-(piperidin-1-yl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | COC(c1ccc2C(N(CCN3CCCCC3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6261 |
| logD: | 1.2986 |
| logSw: | -3.2449 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.453 |
| InChI Key: | TYGUPWYCOULLHA-UHFFFAOYSA-N |