N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J084-0834 |
| Compound Name: | N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C25 H20 N6 O S2 |
| Smiles: | Cc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC(Nc1c(C#N)c(C)c(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4554 |
| logD: | 4.3851 |
| logSw: | -5.7259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.31 |
| InChI Key: | HYHZMNVUTLCPLG-UHFFFAOYSA-N |