4-[7-(5-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoic acid
Chemical Structure Depiction of
4-[7-(5-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoic acid
4-[7-(5-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoic acid
Compound characteristics
| Compound ID: | 7681-0148 |
| Compound Name: | 4-[7-(5-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoic acid |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | CCc1ccc2c(c1)\C(=C1/C(N3CN(CN=C3S1)c1ccc(cc1)C(O)=O)=O)C(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5731 |
| logD: | 2.1779 |
| logSw: | -4.22 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.158 |
| InChI Key: | JMMUNAJPOMETGP-UHFFFAOYSA-N |