2-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Chemical Structure Depiction of
2-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
2-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Compound characteristics
| Compound ID: | L051-0018 |
| Compound Name: | 2-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione |
| Molecular Weight: | 489.36 |
| Molecular Formula: | C22 H18 Br F N2 O3 S |
| Smiles: | C(c1ccc(cc1)F)N1C(CN(Cc2ccc(cc2)[Br])S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5497 |
| logD: | 4.5497 |
| logSw: | -4.3969 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.273 |
| InChI Key: | MSFCXIQSUFNNFN-UHFFFAOYSA-N |