1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-4-[(oxolan-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-4-[(oxolan-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-4-[(oxolan-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F798-0614 |
| Compound Name: | 1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-4-[(oxolan-2-yl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C23 H23 N5 O4 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1nnc2N(CC3CCCO3)C(c3c(ccs3)n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7981 |
| logD: | 2.7981 |
| logSw: | -3.0089 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.993 |
| InChI Key: | JGUGFCFLDSFHKA-OAHLLOKOSA-N |