N-benzyl-2-{[10-ethyl-10-methyl-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}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[10-ethyl-10-methyl-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}acetamide
N-benzyl-2-{[10-ethyl-10-methyl-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}acetamide
Compound characteristics
| Compound ID: | 8640-0035 |
| Compound Name: | N-benzyl-2-{[10-ethyl-10-methyl-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}acetamide |
| Molecular Weight: | 499.67 |
| Molecular Formula: | C23 H25 N5 O2 S3 |
| Smiles: | [H]N(Cc1ccccc1)C(CSc1nnc2c3c4CC(C)(CC)OCc4sc3N=C(n12)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2742 |
| logD: | 4.2742 |
| logSw: | -4.5053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.387 |
| InChI Key: | VOQCQXXXHFQHMN-QHCPKHFHSA-N |