12-ethyl-12-methyl-7-[(2-methylprop-2-en-1-yl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Chemical Structure Depiction of
12-ethyl-12-methyl-7-[(2-methylprop-2-en-1-yl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
12-ethyl-12-methyl-7-[(2-methylprop-2-en-1-yl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Compound characteristics
| Compound ID: | 8640-0219 |
| Compound Name: | 12-ethyl-12-methyl-7-[(2-methylprop-2-en-1-yl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C18 H20 N6 O S2 |
| Smiles: | CCC1(C)Cc2c3c4ncnn4c4nnc(n4c3sc2CO1)SCC(C)=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0409 |
| logD: | 4.0313 |
| logSw: | -4.222 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.125 |
| InChI Key: | JBXGVFIFPXZRQQ-SFHVURJKSA-N |