3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
Compound characteristics
| Compound ID: | C100-0159 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,3-dimethoxybenzoate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C25 H21 N3 O6 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1cccc(c1OC)OC)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0629 |
| logD: | 5.0629 |
| logSw: | -4.8453 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.707 |
| InChI Key: | AMFONDNJLHPICO-UHFFFAOYSA-N |