1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl 2-methylpropanoate
Chemical Structure Depiction of
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl 2-methylpropanoate
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | C100-0661 |
| Compound Name: | 1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl 2-methylpropanoate |
| Molecular Weight: | 366.91 |
| Molecular Formula: | C18 H23 Cl N2 O2 S |
| Smiles: | CC(C)C(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0127 |
| logD: | 5.0127 |
| logSw: | -5.0987 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.517 |
| InChI Key: | IEZRTSUYOPLHSZ-UHFFFAOYSA-N |