2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(morpholin-4-yl)ethan-1-one
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | C226-4136 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 286.31 |
| Molecular Formula: | C10 H14 N4 O4 S |
| Smiles: | Cc1c(c([nH]n1)SCC(N1CCOCC1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.3095 |
| logD: | 0.2989 |
| logSw: | -1.5331 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.517 |
| InChI Key: | NMIPNSIVUKRXQT-UHFFFAOYSA-N |