methyl 3-{4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0265 |
| Compound Name: | methyl 3-{4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Smiles: | COC(c1ccc2C(N(CCCC(NC3CCN(CC3)Cc3ccccc3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6871 |
| logD: | 1.1294 |
| logSw: | -3.336 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.207 |
| InChI Key: | JPHPOGVEHJCMIM-UHFFFAOYSA-N |