6-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-0924 |
| Compound Name: | 6-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 377.47 |
| Molecular Formula: | C20 H19 N5 O S |
| Smiles: | CC1(C)CCc2cc(Cc3nn4c(c5ccncc5)nnc4s3)ccc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.5993 |
| logD: | 3.5992 |
| logSw: | -3.7271 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.978 |
| InChI Key: | PCKKCOVPUKXBQB-UHFFFAOYSA-N |