5-[(2-fluorophenyl)methyl]-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Chemical Structure Depiction of
5-[(2-fluorophenyl)methyl]-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
5-[(2-fluorophenyl)methyl]-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Compound characteristics
| Compound ID: | C201-1341 |
| Compound Name: | 5-[(2-fluorophenyl)methyl]-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C26 H24 F N3 O4 S |
| Smiles: | C1CC(N(C1)c1ccc(CN2CC(N(Cc3ccccc3F)c3ccccc3S2(=O)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6139 |
| logD: | 3.6139 |
| logSw: | -3.6627 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.089 |
| InChI Key: | WJJQKTGHJXWYCG-UHFFFAOYSA-N |