N-tert-butyl-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-tert-butyl-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-tert-butyl-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-1269 |
| Compound Name: | N-tert-butyl-2-{8-[(3-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C18 H21 N5 O2 S |
| Smiles: | Cc1cccc(c1)SC1C2=NN(CC(NC(C)(C)C)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4499 |
| logD: | 2.4499 |
| logSw: | -2.7951 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.004 |
| InChI Key: | LLVHJOQFSNLCGT-UHFFFAOYSA-N |