2-(3-chloro-4-methylbenzene-1-sulfonyl)-5,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Chemical Structure Depiction of
2-(3-chloro-4-methylbenzene-1-sulfonyl)-5,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
2-(3-chloro-4-methylbenzene-1-sulfonyl)-5,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Compound characteristics
| Compound ID: | C066-5695 |
| Compound Name: | 2-(3-chloro-4-methylbenzene-1-sulfonyl)-5,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione |
| Molecular Weight: | 424.9 |
| Molecular Formula: | C18 H21 Cl N4 O4 S |
| Smiles: | CC(C)N1C(c2cn(nc2N(C(C)C)C1=O)S(c1ccc(C)c(c1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7231 |
| logD: | 3.7231 |
| logSw: | -4.0656 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.029 |
| InChI Key: | UFZQQGCLCNPPPE-UHFFFAOYSA-N |