N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-1173 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 493.91 |
| Molecular Formula: | C24 H23 Cl F3 N3 O3 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)CC(Nc3cc(ccc3[Cl])C(F)(F)F)=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4211 |
| logD: | 4.3559 |
| logSw: | -4.5806 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.37 |
| InChI Key: | JHJWCPYUNRSIHI-UHFFFAOYSA-N |