2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | 4072-2788 |
| Compound Name: | 2-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C20 H17 N5 S3 |
| Smiles: | C1CCc2c3c4nc(CSc5nc6ccccc6s5)nn4C=Nc3sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.4782 |
| logD: | 5.4773 |
| logSw: | -5.8366 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.979 |
| InChI Key: | APYSLZCPLORORU-UHFFFAOYSA-N |