2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | L397-0388 |
| Compound Name: | 2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-4-(2-methylpropyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | CC(C)CN1C2=NN(CC(N3CCOc4ccc(C)cc34)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1538 |
| logD: | 3.1538 |
| logSw: | -3.2117 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.233 |
| InChI Key: | YULSRXOCWWXLEJ-UHFFFAOYSA-N |