N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-fluorophenyl)thiourea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-fluorophenyl)thiourea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-fluorophenyl)thiourea
Compound characteristics
| Compound ID: | Y500-6691 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(4-fluorophenyl)thiourea |
| Molecular Weight: | 304.34 |
| Molecular Formula: | C15 H13 F N2 O2 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(Nc1ccc(cc1)F)=S |
| Stereo: | ACHIRAL |
| logP: | 3.0974 |
| logD: | 3.0974 |
| logSw: | -3.2906 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.499 |
| InChI Key: | XXJMXISPVVLKQF-UHFFFAOYSA-N |