4-[(1,3-benzothiazol-2-yl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
Chemical Structure Depiction of
4-[(1,3-benzothiazol-2-yl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
4-[(1,3-benzothiazol-2-yl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
Compound characteristics
| Compound ID: | 8014-9240 |
| Compound Name: | 4-[(1,3-benzothiazol-2-yl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile |
| Molecular Weight: | 338.31 |
| Molecular Formula: | C14 H9 F3 N4 O S |
| Smiles: | CC1=C(C#N)C(C(N1)=O)(C(F)(F)F)Nc1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3708 |
| logD: | 2.8476 |
| logSw: | -3.6893 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.537 |
| InChI Key: | CDTRPYLMBNUZOW-ZDUSSCGKSA-N |