4-amino-N-[1-benzyl-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-amino-N-[1-benzyl-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzene-1-sulfonamide
4-amino-N-[1-benzyl-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8019-1529 |
| Compound Name: | 4-amino-N-[1-benzyl-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzene-1-sulfonamide |
| Molecular Weight: | 511.5 |
| Molecular Formula: | C20 H16 F3 N5 O4 S2 |
| Smiles: | C(c1ccccc1)N1C2=C(C(NC1=S)=O)C(C(N2)=O)(C(F)(F)F)NS(c1ccc(cc1)N)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7866 |
| logD: | -1.8076 |
| logSw: | -2.7771 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 115.415 |
| InChI Key: | YWUMFFRDAWTLPT-IBGZPJMESA-N |