N-benzyl-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
N-benzyl-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016241 |
| Compound Name: | N-benzyl-2-[(cyanomethyl)sulfanyl]-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(NCc1ccccc1)=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 3.881 |
| logD: | 3.8809 |
| logSw: | -3.8523 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.198 |
| InChI Key: | WXPCRUKUJWUWNI-UHFFFAOYSA-N |