methyl 4-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]amino}-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]amino}-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]amino}-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 8016-0444 |
| Compound Name: | methyl 4-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]amino}-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 449.43 |
| Molecular Formula: | C16 H14 F3 N3 O5 S2 |
| Smiles: | CC1=C(C(=O)OC)C(C(N1)=O)(C(F)(F)F)Nc1nc2ccc(cc2s1)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1171 |
| logD: | 0.8004 |
| logSw: | -3.1223 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.404 |
| InChI Key: | BSIMPUWNCMDUGH-HNNXBMFYSA-N |