4-{3-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{3-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
4-{3-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 3553-1717 |
| Compound Name: | 4-{3-[(2-tert-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid |
| Molecular Weight: | 411.45 |
| Molecular Formula: | C23 H25 N O6 |
| Smiles: | Cc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)c(C)n1c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1425 |
| logD: | 1.2564 |
| logSw: | -4.281 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.421 |
| InChI Key: | LXPNTIVUYVRIEJ-UHFFFAOYSA-N |