methyl 3-[(4-{[3-(4-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)methyl]-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)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[(4-{[3-(4-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3658 |
| Compound Name: | methyl 3-[(4-{[3-(4-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Smiles: | CC1CCN(CCCNC(c2ccc(CN3C(c4ccc(cc4NC3=S)C(=O)OC)=O)cc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.7395 |
| logD: | 1.2792 |
| logSw: | -3.9231 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.729 |
| InChI Key: | FLNZARIXUZFDBO-UHFFFAOYSA-N |