ethyl [4-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0273 |
| Compound Name: | ethyl [4-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 463.48 |
| Molecular Formula: | C22 H20 F3 N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8207 |
| logD: | 4.8204 |
| logSw: | -4.5023 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.484 |
| InChI Key: | GKUXNAJFESHUIJ-UHFFFAOYSA-N |