3-(3-tert-butyl-1-methyl-7-oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N-(2-methylphenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
3-(3-tert-butyl-1-methyl-7-oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N-(2-methylphenyl)benzene-1-sulfonamide
3-(3-tert-butyl-1-methyl-7-oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N-(2-methylphenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5008-0234 |
| Compound Name: | 3-(3-tert-butyl-1-methyl-7-oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N-(2-methylphenyl)benzene-1-sulfonamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C25 H29 N5 O4 S |
| Smiles: | CCOc1ccc(cc1C1Nc2c(C(C)(C)C)nn(C)c2C(N=1)=O)S(Nc1ccccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0871 |
| logD: | 1.3255 |
| logSw: | -3.3802 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.475 |
| InChI Key: | YOUPTKDITSXMGO-UHFFFAOYSA-N |