methyl (3-{[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Chemical Structure Depiction of
methyl (3-{[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
methyl (3-{[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Compound characteristics
| Compound ID: | 4724-4647 |
| Compound Name: | methyl (3-{[1-(3,4-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: | Cc1ccc(cc1C)N1C(C(=C\c2cn(CC(=O)OC)c3ccccc23)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0442 |
| logD: | 2.8624 |
| logSw: | -3.1941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.973 |
| InChI Key: | RNKGTSWPAGDGII-UHFFFAOYSA-N |