1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl butanoate
Chemical Structure Depiction of
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl butanoate
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl butanoate
Compound characteristics
| Compound ID: | C100-0664 |
| Compound Name: | 1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl butanoate |
| Molecular Weight: | 366.91 |
| Molecular Formula: | C18 H23 Cl N2 O2 S |
| Smiles: | CCCC(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0102 |
| logD: | 5.0102 |
| logSw: | -5.0297 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.922 |
| InChI Key: | UPVDWWSZGZFCQX-UHFFFAOYSA-N |