2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}-N-[(oxolan-2-yl)methyl]acetamide
2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | F843-0650 |
| Compound Name: | 2-{4-[(3-methoxyphenyl)sulfanyl]-1-oxo[1,2,4]triazolo[4,3-a]quinoxalin-2(1H)-yl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | COc1cccc(c1)SC1C2=NN(CC(NCC3CCCO3)=O)C(N2c2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1292 |
| logD: | 2.1292 |
| logSw: | -2.771 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.806 |
| InChI Key: | UAGOIYOJVGGOFZ-MRXNPFEDSA-N |