3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | C100-0115 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methylpropanoate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | CC(C)C(=O)Oc1c(c(C)nn1c1ccccc1)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5778 |
| logD: | 4.5778 |
| logSw: | -4.4951 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.631 |
| InChI Key: | XEBWKXMAYLUEPP-UHFFFAOYSA-N |