N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]acetamide
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F680-0515 |
| Compound Name: | N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C20 H25 N5 O2 S |
| Smiles: | CCn1c(C)c(CCNC(CSC2C(N(C)c3ccccc3N=2)=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.7793 |
| logD: | 0.7786 |
| logSw: | -2.0495 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.226 |
| InChI Key: | XPPPHJPRSPIOKS-UHFFFAOYSA-N |