1-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-ethyl-4,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-ethyl-4,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-ethyl-4,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 8012-8636 |
| Compound Name: | 1-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-ethyl-4,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C22 H22 N4 O4 S2 |
| Smiles: | CCC1(C)Cc2c3C(N(C)c4nnc(n4c3sc2CO1)SCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1784 |
| logD: | 4.1784 |
| logSw: | -4.5312 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.728 |
| InChI Key: | MWKOSNVZZWNYQE-QFIPXVFZSA-N |