3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0019 |
| Compound Name: | 3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | COCCNC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0648 |
| logD: | 2.0648 |
| logSw: | -3.1323 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.403 |
| InChI Key: | IHNILPFXIDUETC-UHFFFAOYSA-N |