methyl (3-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Chemical Structure Depiction of
methyl (3-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
methyl (3-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate
Compound characteristics
| Compound ID: | 4724-4619 |
| Compound Name: | methyl (3-{[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetate |
| Molecular Weight: | 482.29 |
| Molecular Formula: | C22 H16 Br N3 O5 |
| Smiles: | COC(Cn1cc(\C=C2/C(NC(N(C2=O)c2cccc(c2)[Br])=O)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7053 |
| logD: | 1.3123 |
| logSw: | -3.1921 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.973 |
| InChI Key: | RUTTWPHIRZXGIF-UHFFFAOYSA-N |