ethyl (3-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Chemical Structure Depiction of
ethyl (3-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
ethyl (3-{[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Compound characteristics
| Compound ID: | 3685-0521 |
| Compound Name: | ethyl (3-{[1-(4-bromophenyl)-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: | CCOC(Cn1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=O)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2804 |
| logD: | 2.7091 |
| logSw: | -3.2686 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.553 |
| InChI Key: | FWIPLUSYZNQPQB-UHFFFAOYSA-N |