2-{[10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-phenylacetamide
2-{[10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | 6280-0616 |
| Compound Name: | 2-{[10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C21 H21 N5 O2 S3 |
| Smiles: | CC1(C)Cc2c3c4nnc(n4C(=Nc3sc2CO1)SC)SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9536 |
| logD: | 3.9536 |
| logSw: | -4.3543 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.871 |
| InChI Key: | UVYRURONTRGLCN-UHFFFAOYSA-N |