methyl 4-oxo-3-(4-{[3-(piperidin-1-yl)propyl]carbamoyl}phenyl)-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)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(4-{[3-(piperidin-1-yl)propyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0381 |
| Compound Name: | methyl 4-oxo-3-(4-{[3-(piperidin-1-yl)propyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)C(NCCCN1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7576 |
| logD: | 0.1614 |
| logSw: | -3.3595 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.118 |
| InChI Key: | ABYFAIGTLQCRSF-UHFFFAOYSA-N |