6-(2,1,3-benzothiadiazole-4-sulfonyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-(2,1,3-benzothiadiazole-4-sulfonyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,6H)-dione
6-(2,1,3-benzothiadiazole-4-sulfonyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | C066-5549 |
| Compound Name: | 6-(2,1,3-benzothiadiazole-4-sulfonyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C14 H11 N5 O4 S2 |
| Smiles: | CN1C2C(=CC(N=2)S(c2cccc3c2nsn3)(=O)=O)C(N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1666 |
| logD: | 1.1666 |
| logSw: | -2.1358 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.871 |
| InChI Key: | SRYPYZSPJOIOGS-JTQLQIEISA-N |