1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 4-ethoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 4-ethoxybenzoate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 4-ethoxybenzoate
Compound characteristics
| Compound ID: | C100-0601 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 4-ethoxybenzoate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)C(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9884 |
| logD: | 4.9884 |
| logSw: | -4.6449 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.45 |
| InChI Key: | RPTQCUZPUDVTLL-UHFFFAOYSA-N |