methyl 4-oxo-3-(3-oxo-3-{[3-(piperidin-1-yl)propyl]amino}propyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(3-oxo-3-{[3-(piperidin-1-yl)propyl]amino}propyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(3-oxo-3-{[3-(piperidin-1-yl)propyl]amino}propyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0193 |
| Compound Name: | methyl 4-oxo-3-(3-oxo-3-{[3-(piperidin-1-yl)propyl]amino}propyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | COC(c1ccc2C(N(CCC(NCCCN3CCCCC3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8358 |
| logD: | -0.8184 |
| logSw: | -2.6379 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.766 |
| InChI Key: | PIAVHKOIFINBGF-UHFFFAOYSA-N |