methyl 3-(1-benzylpiperidin-4-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(1-benzylpiperidin-4-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(1-benzylpiperidin-4-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0044 |
| Compound Name: | methyl 3-(1-benzylpiperidin-4-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | COC(c1ccc2C(N(C3CCN(CC3)Cc3ccccc3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7917 |
| logD: | 2.5033 |
| logSw: | -4.0213 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.254 |
| InChI Key: | XEUIINLNVWEODT-UHFFFAOYSA-N |