methyl (3-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Chemical Structure Depiction of
methyl (3-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
methyl (3-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Compound characteristics
| Compound ID: | 4058-0044 |
| Compound Name: | methyl (3-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate |
| Molecular Weight: | 496.32 |
| Molecular Formula: | C23 H18 Br N3 O5 |
| Smiles: | Cc1cc(ccc1[Br])N1C(C(=C/c2cn(CC(=O)OC)c3ccccc23)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2314 |
| logD: | 3.0496 |
| logSw: | -3.3143 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.973 |
| InChI Key: | DCFXAUVTMZPAGW-UHFFFAOYSA-N |