methyl [4-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
methyl [4-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
methyl [4-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0129 |
| Compound Name: | methyl [4-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C20 H17 F3 N2 O2 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6837 |
| logD: | 4.6837 |
| logSw: | -4.496 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.755 |
| InChI Key: | LUFHQSLTKGNSJY-UHFFFAOYSA-N |