2-({3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-({3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
2-({3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
Compound ID: | M191-0043 |
Compound Name: | 2-({3-[(4-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide |
Molecular Weight: | 426.88 |
Molecular Formula: | C19 H15 Cl N6 O2 S |
Smiles: | C(c1ccc(cc1)[Cl])N1C(=Nc2ccccc2C1=O)SCC(Nc1nnc[nH]1)=O |
Stereo: | ACHIRAL |
logP: | 1.8734 |
logD: | 1.8589 |
logSw: | -3.1698 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.758 |
InChI Key: | SYBGXONDHRHVJK-UHFFFAOYSA-N |