N-[4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)phenyl]acetamide
Chemical Structure Depiction of
N-[4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)phenyl]acetamide
N-[4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8019-1531 |
| Compound Name: | N-[4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)phenyl]acetamide |
| Molecular Weight: | 627.62 |
| Molecular Formula: | C25 H24 F3 N5 O7 S2 |
| Smiles: | CC(Nc1ccc(cc1)S(NC1(C2=C(NC1=O)N(CCc1ccc(c(c1)OC)OC)C(NC2=O)=S)C(F)(F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.697 |
| logD: | -1.8972 |
| logSw: | -2.6328 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 133.111 |
| InChI Key: | HOQSWFFJSBRSGZ-DEOSSOPVSA-N |