2-[(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3-methylphenyl)acetamide
2-[(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Compound characteristics
Compound ID: | F367-0166 |
Compound Name: | 2-[(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3-methylphenyl)acetamide |
Molecular Weight: | 455.54 |
Molecular Formula: | C25 H21 N5 O2 S |
Smiles: | Cc1cccc(c1)NC(CSc1nnc2N(Cc3ccccc3)C(c3ccccc3n12)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2548 |
logD: | 4.2548 |
logSw: | -4.3867 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.461 |
InChI Key: | XNMRPJYDQSDQEG-UHFFFAOYSA-N |