12-(propan-2-yl)-3,7-bis[(prop-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:4',3'-c]pyrimidine
Chemical Structure Depiction of
12-(propan-2-yl)-3,7-bis[(prop-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:4',3'-c]pyrimidine
12-(propan-2-yl)-3,7-bis[(prop-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:4',3'-c]pyrimidine
Compound characteristics
| Compound ID: | 8640-0222 |
| Compound Name: | 12-(propan-2-yl)-3,7-bis[(prop-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:4',3'-c]pyrimidine |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C20 H22 N6 O S3 |
| Smiles: | CC(C)C1Cc2c3c4nnc(n4c4nnc(n4c3sc2CO1)SCC=C)SCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9185 |
| logD: | 4.9185 |
| logSw: | -4.7345 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.739 |
| InChI Key: | VORMQHWLWSPBHF-CYBMUJFWSA-N |