methyl 3-(3-{[3-(4-methylpiperidin-1-yl)propyl]amino}-3-oxopropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(3-{[3-(4-methylpiperidin-1-yl)propyl]amino}-3-oxopropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(3-{[3-(4-methylpiperidin-1-yl)propyl]amino}-3-oxopropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0192 |
| Compound Name: | methyl 3-(3-{[3-(4-methylpiperidin-1-yl)propyl]amino}-3-oxopropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C22 H30 N4 O4 S |
| Smiles: | CC1CCN(CCCNC(CCN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.2264 |
| logD: | -0.2918 |
| logSw: | -3.0611 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.766 |
| InChI Key: | VXHJHCKHYROPAD-UHFFFAOYSA-N |