ethyl (5-{2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (5-{2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (5-{2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F404-0459 |
| Compound Name: | ethyl (5-{2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 481.86 |
| Molecular Formula: | C22 H19 Cl F3 N3 O4 |
| Smiles: | CCOC(CC1=CC(N(CC(Nc2ccc(cc2C(F)(F)F)[Cl])=O)c2ccccc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1758 |
| logD: | 3.8143 |
| logSw: | -4.44 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.186 |
| InChI Key: | XARDKRMDSNYBJE-UHFFFAOYSA-N |