2-[(3-methylphenyl)methyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
2-[(3-methylphenyl)methyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Compound characteristics
| Compound ID: | L051-0126 |
| Compound Name: | 2-[(3-methylphenyl)methyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione |
| Molecular Weight: | 474.5 |
| Molecular Formula: | C24 H21 F3 N2 O3 S |
| Smiles: | Cc1cccc(CN2CC(N(Cc3cccc(c3)C(F)(F)F)c3ccccc3S2(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0902 |
| logD: | 5.0902 |
| logSw: | -4.965 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.273 |
| InChI Key: | JBHRSLGUTYIDJN-UHFFFAOYSA-N |