N-benzyl-3-(3-tert-butyl-1-methyl-7-oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-benzyl-3-(3-tert-butyl-1-methyl-7-oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzene-1-sulfonamide
N-benzyl-3-(3-tert-butyl-1-methyl-7-oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5008-0230 |
| Compound Name: | N-benzyl-3-(3-tert-butyl-1-methyl-7-oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzene-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(NCc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0082 |
| logD: | 1.0977 |
| logSw: | -3.5149 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.281 |
| InChI Key: | XKCFNZCJSTZCNY-UHFFFAOYSA-N |