4-[(furan-2-yl)methyl]-1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-[(furan-2-yl)methyl]-1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-[(furan-2-yl)methyl]-1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F798-0692 |
| Compound Name: | 4-[(furan-2-yl)methyl]-1-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C23 H19 N5 O4 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSc1nnc2N(Cc3ccco3)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6088 |
| logD: | 3.6088 |
| logSw: | -3.7066 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.087 |
| InChI Key: | WZTVCSGWNDJNOJ-UHFFFAOYSA-N |