1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 3,4-diethoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 3,4-diethoxybenzoate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 3,4-diethoxybenzoate
Compound characteristics
| Compound ID: | C100-0564 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 3,4-diethoxybenzoate |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C25 H29 N3 O6 S |
| Smiles: | CCOc1ccc(cc1OCC)C(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6147 |
| logD: | 4.6147 |
| logSw: | -4.491 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.746 |
| InChI Key: | LTVHWOWUCGMACB-UHFFFAOYSA-N |