7-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Chemical Structure Depiction of
7-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
7-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
| Compound ID: | 5521-0070 |
| Compound Name: | 7-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
| Molecular Weight: | 531.38 |
| Molecular Formula: | C22 H19 Br N4 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)N1CN=C2N(C1)C(/C(=C1C(Nc3ccc(cc\13)[Br])=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2107 |
| logD: | 4.208 |
| logSw: | -4.2861 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.728 |
| InChI Key: | KYOPVZPFKMUITB-UHFFFAOYSA-N |