(2-bromophenyl){3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone
Chemical Structure Depiction of
(2-bromophenyl){3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone
(2-bromophenyl){3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}methanone
Compound characteristics
| Compound ID: | 3335-0215 |
| Compound Name: | (2-bromophenyl){3,5-dimethyl-4-[(4-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(c2ccccc2[Br])=O)n1)Sc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9192 |
| logD: | 3.9192 |
| logSw: | -4.1573 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.962 |
| InChI Key: | KURLQZZYFSFREO-UHFFFAOYSA-N |