methyl (3-{[1-(2,3-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Chemical Structure Depiction of
methyl (3-{[1-(2,3-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
methyl (3-{[1-(2,3-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Compound characteristics
| Compound ID: | 4724-5998 |
| Compound Name: | methyl (3-{[1-(2,3-dichlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate |
| Molecular Weight: | 472.28 |
| Molecular Formula: | C22 H15 Cl2 N3 O5 |
| Smiles: | COC(Cn1cc(/C=C2/C(NC(N(C2=O)c2cccc(c2[Cl])[Cl])=O)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2073 |
| logD: | 0.9314 |
| logSw: | -3.759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.672 |
| InChI Key: | BTSQXFOZHSVEGV-UHFFFAOYSA-N |