methyl 4-(4-fluorophenyl)-3-isothiocyanato-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-(4-fluorophenyl)-3-isothiocyanato-1H-pyrrole-2-carboxylate
methyl 4-(4-fluorophenyl)-3-isothiocyanato-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C200-7286 |
| Compound Name: | methyl 4-(4-fluorophenyl)-3-isothiocyanato-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 276.29 |
| Molecular Formula: | C13 H9 F N2 O2 S |
| Smiles: | COC(c1c(c(c[nH]1)c1ccc(cc1)F)N=C=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9455 |
| logD: | 3.9455 |
| logSw: | -4.2331 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.382 |
| InChI Key: | QGNOPSYVEBZSHH-UHFFFAOYSA-N |