N-[2-(azepan-1-yl)ethyl]-N-[(furan-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-N-[(furan-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
N-[2-(azepan-1-yl)ethyl]-N-[(furan-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Compound characteristics
| Compound ID: | C087-1200 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-N-[(furan-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]thiourea |
| Molecular Weight: | 425.52 |
| Molecular Formula: | C21 H26 F3 N3 O S |
| Smiles: | C1CCCN(CC1)CCN(Cc1ccco1)C(Nc1cccc(c1)C(F)(F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 5.5036 |
| logD: | 2.6785 |
| logSw: | -5.9091 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.4686 |
| InChI Key: | VOFPQZCQKLCRMV-UHFFFAOYSA-N |