methyl 4-(3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
methyl 4-(3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3609-0269 |
| Compound Name: | methyl 4-(3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate |
| Molecular Weight: | 487.47 |
| Molecular Formula: | C26 H21 N3 O7 |
| Smiles: | Cc1cc(/C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)c(C)n1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1793 |
| logD: | 3.1376 |
| logSw: | -3.4112 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.345 |
| InChI Key: | ZWSWPQJCIDCQTL-UHFFFAOYSA-N |