3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl butanoate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl butanoate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl butanoate
Compound characteristics
| Compound ID: | C100-0118 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl butanoate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | CCCC(=O)Oc1c(c(C)nn1c1ccccc1)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5753 |
| logD: | 4.5753 |
| logSw: | -4.4966 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.036 |
| InChI Key: | NYBPUZBMMVVIFY-UHFFFAOYSA-N |