2-(4-bromobenzene-1-sulfonyl)-5,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Chemical Structure Depiction of
2-(4-bromobenzene-1-sulfonyl)-5,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
2-(4-bromobenzene-1-sulfonyl)-5,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Compound characteristics
Compound ID: | F994-0287 |
Compound Name: | 2-(4-bromobenzene-1-sulfonyl)-5,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione |
Molecular Weight: | 455.33 |
Molecular Formula: | C17 H19 Br N4 O4 S |
Smiles: | CC(C)N1C(c2cn(nc2N(C(C)C)C1=O)S(c1ccc(cc1)[Br])(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.4009 |
logD: | 3.4009 |
logSw: | -3.7072 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 74.029 |
InChI Key: | FPONMSLBRDRTIX-UHFFFAOYSA-N |