2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-methoxyphenyl)butanamide
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-(4-methoxyphenyl)butanamide
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | K280-0536 |
| 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-(4-methoxyphenyl)butanamide |
| Molecular Weight: | 515.64 |
| Molecular Formula: | C27 H29 N7 O2 S |
| Smiles: | CCC(C(Nc1ccc(cc1)OC)=O)Sc1nc2ccccc2c2nc(CCn3c(C)cc(C)n3)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3078 |
| logD: | 4.1662 |
| logSw: | -4.2207 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.679 |
| InChI Key: | ISDPRBMFRAAPMO-QHCPKHFHSA-N |