3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-phenoxypropanoate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-phenoxypropanoate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-phenoxypropanoate
Compound characteristics
| Compound ID: | C100-0107 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-phenoxypropanoate |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Smiles: | CC(C(=O)Oc1c(c(C)nn1c1ccccc1)Sc1ccccc1[N+]([O-])=O)Oc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2573 |
| logD: | 5.2573 |
| logSw: | -5.1535 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.148 |
| InChI Key: | ZWILBHLBTBKPRZ-SFHVURJKSA-N |