ethyl [(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetate
ethyl [(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8016-5408 |
| Compound Name: | ethyl [(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetate |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C17 H18 N6 O3 S2 |
| Smiles: | CCOC(CSc1nnc2n1c1c(c3CC(C)(C)OCc3s1)c1ncnn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5264 |
| logD: | 2.5168 |
| logSw: | -2.2363 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.089 |
| InChI Key: | UDQMKIWQHLMFTM-UHFFFAOYSA-N |