ethyl 4-[(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]butanoate
Chemical Structure Depiction of
ethyl 4-[(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]butanoate
ethyl 4-[(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]butanoate
Compound characteristics
| Compound ID: | 8016-5404 |
| Compound Name: | ethyl 4-[(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]butanoate |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C19 H22 N6 O3 S2 |
| Smiles: | CCOC(CCCSc1nnc2n1c1c(c3CC(C)(C)OCc3s1)c1ncnn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9542 |
| logD: | 2.9446 |
| logSw: | -3.178 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.089 |
| InChI Key: | HYRNDZCEYTWEJQ-UHFFFAOYSA-N |