1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl (3-methylphenyl)acetate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl (3-methylphenyl)acetate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl (3-methylphenyl)acetate
Compound characteristics
| Compound ID: | C100-0555 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl (3-methylphenyl)acetate |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | Cc1cccc(CC(=O)Oc2c(c(C)nn2C(C)(C)C)Sc2ccccc2[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3602 |
| logD: | 5.3602 |
| logSw: | -5.3252 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.731 |
| InChI Key: | NIQKMAUTACXBKF-UHFFFAOYSA-N |