3-benzyl-N-[(2-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-N-[(2-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-N-[(2-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015653 |
| Compound Name: | 3-benzyl-N-[(2-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 474.97 |
| Molecular Formula: | C25 H19 Cl N4 O2 S |
| Smiles: | C(c1ccccc1[Cl])NC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.354 |
| logD: | 4.3539 |
| logSw: | -4.5698 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.948 |
| InChI Key: | KNYZNNWTMPXJCX-UHFFFAOYSA-N |