1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4-diethoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4-diethoxybenzoate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4-diethoxybenzoate
Compound characteristics
| Compound ID: | C100-0473 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3,4-diethoxybenzoate |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C25 H30 N2 O4 S |
| Smiles: | CCOc1ccc(cc1OCC)C(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7008 |
| logD: | 4.7008 |
| logSw: | -4.4838 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.666 |
| InChI Key: | IOCQZWZOAMMPCY-UHFFFAOYSA-N |