2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-ethyl-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-ethyl-N-(3-methylphenyl)acetamide
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-ethyl-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K280-0342 |
| Compound Name: | 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-ethyl-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 499.64 |
| Molecular Formula: | C27 H29 N7 O S |
| Smiles: | CCN(C(CSc1nc2ccccc2c2nc(CCn3c(C)cc(C)n3)nn12)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3058 |
| logD: | 4.2041 |
| logSw: | -4.2369 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.864 |
| InChI Key: | DNGYKKNBBKRTJP-UHFFFAOYSA-N |