methyl 4-{3-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
methyl 4-{3-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Compound characteristics
| Compound ID: | 3609-0218 |
| Compound Name: | methyl 4-{3-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C18 H17 N3 O4 |
| Smiles: | Cc1cc(/C=C2/C(NC(N2)=O)=O)c(C)n1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0197 |
| logD: | 2.0191 |
| logSw: | -2.7678 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.15 |
| InChI Key: | IYDFNWPDTWSAFH-UHFFFAOYSA-N |