methyl 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0187 |
| Compound Name: | methyl 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CCC(N3CCC(CC3)Cc3ccccc3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.109 |
| logD: | 4.1039 |
| logSw: | -4.3448 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.591 |
| InChI Key: | NYFANXGBPVGXHT-UHFFFAOYSA-N |