ethyl 4-(2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamido)benzoate
ethyl 4-(2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | M451-2059 |
| Compound Name: | ethyl 4-(2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamido)benzoate |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C24 H23 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N2C=CN=C(C2=N1)Sc1ccc(C)cc1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2503 |
| logD: | 4.2503 |
| logSw: | -4.1798 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.34 |
| InChI Key: | OIACOJUTDNJFPE-UHFFFAOYSA-N |