methyl 4-[({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]benzoate
methyl 4-[({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]benzoate
Compound characteristics
| Compound ID: | 1348-1180 |
| Compound Name: | methyl 4-[({2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl}imino)methyl]benzoate |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C20 H19 N3 O2 S |
| Smiles: | [H]n1c(C)c(c(C)n1)Sc1ccccc1/N=C/c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1951 |
| logD: | 4.1946 |
| logSw: | -4.3236 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.485 |
| InChI Key: | SAMTUEDIEFHBTD-UHFFFAOYSA-N |