4-{2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrole-3-carbonyl}-N,N-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-{2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrole-3-carbonyl}-N,N-dimethylbenzene-1-sulfonamide
4-{2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrole-3-carbonyl}-N,N-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4341-0604 |
| Compound Name: | 4-{2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrole-3-carbonyl}-N,N-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 533.65 |
| Molecular Formula: | C29 H31 N3 O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1C(=C(C(N1Cc1cccnc1)=O)O)C(c1ccc(cc1)S(N(C)C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8819 |
| logD: | 3.8783 |
| logSw: | -3.6273 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.008 |
| InChI Key: | MZTTUQNZRMKHDQ-RUZDIDTESA-N |