2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | L397-0576 |
| Compound Name: | 2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C23 H19 N5 O4 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CN1C(N2C(=N1)N(Cc1cccs1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1709 |
| logD: | 3.1709 |
| logSw: | -3.1592 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.98 |
| InChI Key: | KHSQPFCKDODKPG-UHFFFAOYSA-N |