ethyl 4-{2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
ethyl 4-{2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M451-1858 |
| Compound Name: | ethyl 4-{2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C22 H25 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N2C=CN=C(C2=N1)SC1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7886 |
| logD: | 3.7886 |
| logSw: | -3.8287 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.532 |
| InChI Key: | YZFCHICBNDLYIW-UHFFFAOYSA-N |