N-(2-amino-2-oxo-1-phenylethyl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-amino-2-oxo-1-phenylethyl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-(2-amino-2-oxo-1-phenylethyl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J084-0889 |
| Compound Name: | N-(2-amino-2-oxo-1-phenylethyl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C26 H22 N6 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC(NC(C(N)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4886 |
| logD: | 3.4593 |
| logSw: | -3.7789 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.193 |
| InChI Key: | MLNZMJDSERRVMW-JOCHJYFZSA-N |