N-cyclopentyl-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-cyclopentyl-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
N-cyclopentyl-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | M451-3080 |
| Compound Name: | N-cyclopentyl-2-{8-[(2,4-dimethylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}acetamide |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C20 H23 N5 O2 S |
| Smiles: | Cc1ccc(c(C)c1)SC1C2=NN(CC(NC3CCCC3)=O)C(N2C=CN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9926 |
| logD: | 2.9926 |
| logSw: | -3.1274 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64 |
| InChI Key: | RNLRBRPHWAXXLA-UHFFFAOYSA-N |