2-{[(1,3-benzoxazol-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-benzoxazol-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-benzoxazol-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: | 4072-2787 |
| Compound Name: | 2-{[(1,3-benzoxazol-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: | 407.51 |
| Molecular Formula: | C20 H17 N5 O S2 |
| Smiles: | C1CCc2c3c4nc(CSc5nc6ccccc6o5)nn4C=Nc3sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.9441 |
| logD: | 4.9432 |
| logSw: | -4.912 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.561 |
| InChI Key: | DCWXSEQOVHMPNU-UHFFFAOYSA-N |