2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | K280-0567 |
| Compound Name: | 2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C28 H31 N7 O S |
| Smiles: | CCC(C(NCc1ccc(C)cc1)=O)Sc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1485 |
| logD: | 4.4493 |
| logSw: | -5.1801 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.387 |
| InChI Key: | XBNJNFWIOKFRRP-DEOSSOPVSA-N |