1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl propanoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl propanoate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl propanoate
Compound characteristics
| Compound ID: | C100-0569 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl propanoate |
| Molecular Weight: | 363.43 |
| Molecular Formula: | C17 H21 N3 O4 S |
| Smiles: | CCC(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.627 |
| logD: | 3.627 |
| logSw: | -4.0628 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.003 |
| InChI Key: | CJIVFLNFLXHIIR-UHFFFAOYSA-N |