(4-bromophenyl){3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone
Chemical Structure Depiction of
(4-bromophenyl){3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone
(4-bromophenyl){3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone
Compound characteristics
| Compound ID: | 3335-0244 |
| Compound Name: | (4-bromophenyl){3,5-dimethyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone |
| Molecular Weight: | 432.29 |
| Molecular Formula: | C18 H14 Br N3 O3 S |
| Smiles: | Cc1c(c(C)n(C(c2ccc(cc2)[Br])=O)n1)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2291 |
| logD: | 4.2291 |
| logSw: | -4.3798 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.661 |
| InChI Key: | QBCCHCVDWCAJAB-UHFFFAOYSA-N |