3-(2H-1,3-benzodioxol-5-yl)-7-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-7-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
3-(2H-1,3-benzodioxol-5-yl)-7-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Compound characteristics
Compound ID: | 5111-0402 |
Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-7-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one |
Molecular Weight: | 440.86 |
Molecular Formula: | C20 H13 Cl N4 O4 S |
Smiles: | C1N=C2N(CN1c1ccc3c(c1)OCO3)C(/C(=C1C(Nc3ccc(cc\13)[Cl])=O)S2)=O |
Stereo: | ACHIRAL |
logP: | 4.2356 |
logD: | 4.2326 |
logSw: | -4.5689 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.865 |
InChI Key: | UIMPPTFXLJHLKW-UHFFFAOYSA-N |