methyl 3-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0042 |
| Compound Name: | methyl 3-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C20 H27 N3 O3 S |
| Smiles: | CCC1CCCCN1CCCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5489 |
| logD: | 0.8303 |
| logSw: | -3.7041 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.265 |
| InChI Key: | KQOJWIWEWIWHQC-HNNXBMFYSA-N |