1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-methylbenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-methylbenzoate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | C100-0497 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 4-methylbenzoate |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C22 H24 N2 O2 S |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1289 |
| logD: | 5.1289 |
| logSw: | -5.11 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.245 |
| InChI Key: | RKMBEMWJTKRSMK-UHFFFAOYSA-N |