9-methyl-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
9-methyl-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
9-methyl-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | F815-0914 |
| Compound Name: | 9-methyl-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CC1CCc2c3C4=NN(CC(N5CCOc6ccc(C)cc56)=O)C(N4C=Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5398 |
| logD: | 3.5398 |
| logSw: | -4.0382 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.519 |
| InChI Key: | VOZDRJHXPUNNEY-CQSZACIVSA-N |