N-[5-({1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
N-[5-({1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
N-[5-({1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | 8602-0069 |
| Compound Name: | N-[5-({1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 619.55 |
| Molecular Formula: | C21 H20 F3 N7 O8 S2 |
| Smiles: | CC(Nc1nnc(s1)S(NC1(C2=C(NC1=O)N(CCc1ccc(c(c1)OC)OC)C(NC2=O)=O)C(F)(F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2789 |
| logD: | -4.9198 |
| logSw: | -2.4029 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 169.593 |
| InChI Key: | FONZQLXAXFWMRN-FQEVSTJZSA-N |