methyl [4-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
methyl [4-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
methyl [4-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0048 |
| Compound Name: | methyl [4-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 449.45 |
| Molecular Formula: | C21 H18 F3 N3 O3 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3681 |
| logD: | 4.3678 |
| logSw: | -4.3653 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.904 |
| InChI Key: | XPBYCLRIUFCOQV-UHFFFAOYSA-N |