methyl 4-({[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)benzoate
Chemical Structure Depiction of
methyl 4-({[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)benzoate
methyl 4-({[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)benzoate
Compound characteristics
| Compound ID: | 8009-9141 |
| Compound Name: | methyl 4-({[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)benzoate |
| Molecular Weight: | 458.3 |
| Molecular Formula: | C21 H19 I N2 O2 |
| Smiles: | Cc1cc(/C=N/c2ccc(cc2)C(=O)OC)c(C)n1c1ccc(cc1)I |
| Stereo: | ACHIRAL |
| logP: | 5.5851 |
| logD: | 5.5849 |
| logSw: | -5.4823 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.204 |
| InChI Key: | XJABEUQUIZEWGR-UHFFFAOYSA-N |