1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 4-methoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 4-methoxybenzoate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | C100-0600 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 4-methoxybenzoate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1ccc(cc1)OC)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6018 |
| logD: | 4.6018 |
| logSw: | -4.5132 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.87 |
| InChI Key: | KMRWMZAEDAUNBG-UHFFFAOYSA-N |