3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 3,4-dimethoxybenzoate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C100-0160 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 3,4-dimethoxybenzoate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C25 H21 N3 O6 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccc(c(c1)OC)OC)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5544 |
| logD: | 4.5544 |
| logSw: | -4.5301 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.62 |
| InChI Key: | MJBPJSOAVALCSO-UHFFFAOYSA-N |