5-(benzylsulfanyl)-10,10-dimethyl-3-[(prop-2-en-1-yl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Chemical Structure Depiction of
5-(benzylsulfanyl)-10,10-dimethyl-3-[(prop-2-en-1-yl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
5-(benzylsulfanyl)-10,10-dimethyl-3-[(prop-2-en-1-yl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Compound characteristics
| Compound ID: | 8640-0015 |
| Compound Name: | 5-(benzylsulfanyl)-10,10-dimethyl-3-[(prop-2-en-1-yl)sulfanyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine |
| Molecular Weight: | 454.63 |
| Molecular Formula: | C22 H22 N4 O S3 |
| Smiles: | CC1(C)Cc2c3c4nnc(n4C(=Nc3sc2CO1)SCc1ccccc1)SCC=C |
| Stereo: | ACHIRAL |
| logP: | 5.1728 |
| logD: | 5.1728 |
| logSw: | -5.3074 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.721 |
| InChI Key: | CJTNWIRCLUOCDO-UHFFFAOYSA-N |