1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl 2,3-dimethoxybenzoate
Compound characteristics
| Compound ID: | C100-0705 |
| Compound Name: | 1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl 2,3-dimethoxybenzoate |
| Molecular Weight: | 460.98 |
| Molecular Formula: | C23 H25 Cl N2 O4 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1cccc(c1OC)OC)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4978 |
| logD: | 5.4978 |
| logSw: | -5.9762 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.593 |
| InChI Key: | VLQPVICYFQBNDN-UHFFFAOYSA-N |