N-(3-chloro-4-fluorophenyl)-2-{5-[(dibutylamino)methyl]furan-2-carbonyl}hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{5-[(dibutylamino)methyl]furan-2-carbonyl}hydrazine-1-carbothioamide
N-(3-chloro-4-fluorophenyl)-2-{5-[(dibutylamino)methyl]furan-2-carbonyl}hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | K788-7787 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{5-[(dibutylamino)methyl]furan-2-carbonyl}hydrazine-1-carbothioamide |
| Molecular Weight: | 454.99 |
| Molecular Formula: | C21 H28 Cl F N4 O2 S |
| Smiles: | CCCCN(CCCC)Cc1ccc(C(NNC(Nc2ccc(c(c2)[Cl])F)=S)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.3938 |
| logD: | 4.826 |
| logSw: | -5.873 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.947 |
| InChI Key: | MQPCYOOUXSWTBD-UHFFFAOYSA-N |