methyl (3-{[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Chemical Structure Depiction of
methyl (3-{[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
methyl (3-{[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Compound characteristics
| Compound ID: | 4724-5443 |
| Compound Name: | methyl (3-{[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C24 H21 N3 O5 |
| Smiles: | Cc1cccc(c1C)N1C(C(=C/c2cn(CC(=O)OC)c3ccccc23)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8831 |
| logD: | 2.4369 |
| logSw: | -3.1122 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.672 |
| InChI Key: | ODNVGUDGEPHTRY-UHFFFAOYSA-N |