ethyl [4-({2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0426 |
| Compound Name: | ethyl [4-({2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 497.92 |
| Molecular Formula: | C22 H19 Cl F3 N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1ccc(cc1C(F)(F)F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0822 |
| logD: | 5.0821 |
| logSw: | -5.1432 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.786 |
| InChI Key: | SJJYEUJBZJDPAI-UHFFFAOYSA-N |