N-benzyl-2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-benzyl-2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
N-benzyl-2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F367-0176 |
| Compound Name: | N-benzyl-2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C26 H23 N5 O2 S |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c2nnc3SCC(NCc2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9996 |
| logD: | 3.9996 |
| logSw: | -4.2669 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.784 |
| InChI Key: | AESVJDIYXJUCEN-UHFFFAOYSA-N |