methyl 3-(4-{[3-(4-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(4-{[3-(4-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(4-{[3-(4-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0380 |
| Compound Name: | methyl 3-(4-{[3-(4-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Smiles: | CC1CCN(CCCNC(c2ccc(cc2)N2C(c3ccc(cc3NC2=S)C(=O)OC)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1482 |
| logD: | 0.688 |
| logSw: | -3.4694 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.118 |
| InChI Key: | SDSOSDAMVQLXBW-UHFFFAOYSA-N |