2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[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-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methoxyphenyl)butanamide
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C445-0265 |
| Compound Name: | 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(3-methoxyphenyl)butanamide |
| Molecular Weight: | 575.69 |
| Molecular Formula: | C29 H33 N7 O4 S |
| Smiles: | CCC(C(Nc1cccc(c1)OC)=O)Sc1nc2cc(c(cc2c2nc(CCn3c(C)cc(C)n3)nn12)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0802 |
| logD: | 3.9182 |
| logSw: | -4.1409 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.94 |
| InChI Key: | NNNXVYRETRWXFS-VWLOTQADSA-N |