4-[(furan-2-yl)methyl]-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
4-[(furan-2-yl)methyl]-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-[(furan-2-yl)methyl]-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | L397-0741 |
| Compound Name: | 4-[(furan-2-yl)methyl]-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 477.5 |
| Molecular Formula: | C23 H19 N5 O5 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CN1C(N2C(=N1)N(Cc1ccco1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.768 |
| logD: | 2.768 |
| logSw: | -2.9746 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.711 |
| InChI Key: | DSQYWVUMOIZAEQ-UHFFFAOYSA-N |