3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1-(2-nitrobenzene-1-sulfonyl)-1H-pyrazole
Chemical Structure Depiction of
3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1-(2-nitrobenzene-1-sulfonyl)-1H-pyrazole
3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1-(2-nitrobenzene-1-sulfonyl)-1H-pyrazole
Compound characteristics
| Compound ID: | 3335-0143 |
| Compound Name: | 3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1-(2-nitrobenzene-1-sulfonyl)-1H-pyrazole |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C18 H17 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c1C)S(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7493 |
| logD: | 3.7493 |
| logSw: | -4.0455 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.668 |
| InChI Key: | FDISWLXZGRXZHX-UHFFFAOYSA-N |