ethyl [4-({1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0414 |
| Compound Name: | ethyl [4-({1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 491.53 |
| Molecular Formula: | C24 H24 F3 N3 O3 S |
| Smiles: | CCC(C(Nc1cccc(c1)C(F)(F)F)=O)SC1C=C(CC(=O)OCC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7985 |
| logD: | 5.7976 |
| logSw: | -5.5634 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.697 |
| InChI Key: | MSFOSEFDWBOHQR-FQEVSTJZSA-N |