3-[6-oxo-7-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoic acid
Chemical Structure Depiction of
3-[6-oxo-7-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoic acid
3-[6-oxo-7-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoic acid
Compound characteristics
| Compound ID: | 8017-0016 |
| Compound Name: | 3-[6-oxo-7-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoic acid |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C20 H14 N4 O4 S |
| Smiles: | C1N=C2N(CN1c1cccc(c1)C(O)=O)C(/C(=C1C(Nc3ccccc\13)=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4785 |
| logD: | 0.7976 |
| logSw: | -3.8087 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.158 |
| InChI Key: | FUGHSZCNMYKYEB-UHFFFAOYSA-N |