3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-methoxybenzoate
Chemical Structure Depiction of
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-methoxybenzoate
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-methoxybenzoate
Compound characteristics
| Compound ID: | C100-0052 |
| Compound Name: | 3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-methoxybenzoate |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C24 H20 N2 O3 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccccc1OC)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1967 |
| logD: | 5.1967 |
| logSw: | -5.2111 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.909 |
| InChI Key: | DSGMLXQJMHUELX-UHFFFAOYSA-N |