2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methoxyphenyl)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-(3-methoxyphenyl)butanamide
2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | K280-0566 |
| 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-(3-methoxyphenyl)butanamide |
| Molecular Weight: | 515.64 |
| Molecular Formula: | C27 H29 N7 O2 S |
| Smiles: | CCC(C(Nc1cccc(c1)OC)=O)Sc1nc2ccccc2c2nc(CCc3c(C)n[nH]c3C)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2743 |
| logD: | 4.5751 |
| logSw: | -5.4255 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.609 |
| InChI Key: | NRFQAEPSZSHXEM-QHCPKHFHSA-N |