ethyl (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
ethyl (3-{[1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
ethyl (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: | 4724-6040 |
| Compound Name: | ethyl (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: | 461.43 |
| Molecular Formula: | C24 H19 N3 O7 |
| Smiles: | CCOC(Cn1cc(/C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4023 |
| logD: | 2.0305 |
| logSw: | -3.0228 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.669 |
| InChI Key: | RHKKBQIVEYJOMG-UHFFFAOYSA-N |