2-{[5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
2-{[5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(morpholin-4-yl)propan-1-one
2-{[5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | 6280-0730 |
| Compound Name: | 2-{[5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 493.67 |
| Molecular Formula: | C21 H27 N5 O3 S3 |
| Smiles: | CC(C)C1Cc2c3c4nnc(n4C(=Nc3sc2CO1)SC)SC(C)C(N1CCOCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2397 |
| logD: | 3.2397 |
| logSw: | -3.4281 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.204 |
| InChI Key: | MKJQFGBLTJITOQ-UHFFFAOYSA-N |