3-benzyl-N-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-N-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-N-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015654 |
| Compound Name: | 3-benzyl-N-[(3-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(c1cccc(c1)[Cl])NC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2693 |
| logD: | 4.2693 |
| logSw: | -4.5293 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.948 |
| InChI Key: | MYSZNBGYLOIZNY-UHFFFAOYSA-N |