7-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
7-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
7-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | D727-0286 |
| Compound Name: | 7-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 378.41 |
| Molecular Formula: | C19 H14 N4 O3 S |
| Smiles: | C(C1=NN2C(=NN=C(C2=O)c2ccccc2)S1)c1ccc2c(c1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.7944 |
| logD: | 2.7885 |
| logSw: | -3.1713 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.552 |
| InChI Key: | NRCWJNMIKIUJNA-UHFFFAOYSA-N |