ethyl [4-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
Compound ID: | F405-0354 |
Compound Name: | ethyl [4-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
Molecular Weight: | 420.45 |
Molecular Formula: | C21 H19 F3 N2 O2 S |
Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCc1cccc(c1)C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 5.1364 |
logD: | 5.1363 |
logSw: | -5.0546 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.334 |
InChI Key: | IPRFRZDQPWQYLD-UHFFFAOYSA-N |