2-[(3-methoxyphenyl)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-methoxyphenyl)methyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
2-[(3-methoxyphenyl)methyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Compound characteristics
| Compound ID: | L051-0136 |
| Compound Name: | 2-[(3-methoxyphenyl)methyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione |
| Molecular Weight: | 490.5 |
| Molecular Formula: | C24 H21 F3 N2 O4 S |
| Smiles: | COc1cccc(CN2CC(N(Cc3cccc(c3)C(F)(F)F)c3ccccc3S2(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.499 |
| logD: | 4.499 |
| logSw: | -4.403 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.817 |
| InChI Key: | WXPRWYDNZDLLOO-UHFFFAOYSA-N |