4-chloro-N-{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}benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-{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}benzene-1-sulfonamide
4-chloro-N-{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}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 7591-0482 |
| Compound Name: | 4-chloro-N-{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}benzene-1-sulfonamide |
| Molecular Weight: | 588.95 |
| Molecular Formula: | C23 H20 Cl F3 N4 O7 S |
| Smiles: | COc1ccc(CCN2C3=C(C(NC2=O)=O)C(C(N3)=O)(C(F)(F)F)NS(c2ccc(cc2)[Cl])(=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7343 |
| logD: | -0.6901 |
| logSw: | -3.6399 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.011 |
| InChI Key: | BFVULHUEMWTOGA-QFIPXVFZSA-N |