methyl 4-oxo-3-[(4-{[3-(piperidin-1-yl)propyl]carbamoyl}phenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-[(4-{[3-(piperidin-1-yl)propyl]carbamoyl}phenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-[(4-{[3-(piperidin-1-yl)propyl]carbamoyl}phenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0492 |
| Compound Name: | methyl 4-oxo-3-[(4-{[3-(piperidin-1-yl)propyl]carbamoyl}phenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(NCCCN3CCCCC3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3489 |
| logD: | 0.7527 |
| logSw: | -3.5512 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.729 |
| InChI Key: | PJCKKHLYWKLCJI-UHFFFAOYSA-N |