methyl (3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Chemical Structure Depiction of
methyl (3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
methyl (3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Compound characteristics
| Compound ID: | 4724-6044 |
| Compound Name: | methyl (3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate |
| Molecular Weight: | 447.4 |
| Molecular Formula: | C23 H17 N3 O7 |
| Smiles: | COC(Cn1cc(/C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8676 |
| logD: | 1.4958 |
| logSw: | -2.7709 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.089 |
| InChI Key: | QZPHLPLNHVQFKM-UHFFFAOYSA-N |