2-{[10,10-dimethyl-5-(propylsulfanyl)-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-(propylsulfanyl)-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-(propylsulfanyl)-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: | 8640-0024 |
| Compound Name: | 2-{[10,10-dimethyl-5-(propylsulfanyl)-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: | 499.67 |
| Molecular Formula: | C23 H25 N5 O2 S3 |
| Smiles: | [H]N(C(CSc1nnc2c3c4CC(C)(C)OCc4sc3N=C(n12)SCCC)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8377 |
| logD: | 4.8377 |
| logSw: | -4.7816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.871 |
| InChI Key: | UYOMEIWJZPYCOP-UHFFFAOYSA-N |