1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl pentanoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl pentanoate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl pentanoate
Compound characteristics
| Compound ID: | C100-0571 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl pentanoate |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C19 H25 N3 O4 S |
| Smiles: | CCCCC(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5112 |
| logD: | 4.5112 |
| logSw: | -4.3787 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.003 |
| InChI Key: | FTVSLNAMNDHPLE-UHFFFAOYSA-N |