2-[(2,5-dimethylphenyl)methyl]-5-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Chemical Structure Depiction of
2-[(2,5-dimethylphenyl)methyl]-5-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
2-[(2,5-dimethylphenyl)methyl]-5-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Compound characteristics
| Compound ID: | L051-0023 |
| Compound Name: | 2-[(2,5-dimethylphenyl)methyl]-5-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C24 H23 F N2 O3 S |
| Smiles: | Cc1ccc(C)c(CN2CC(N(Cc3cccc(c3)F)c3ccccc3S2(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9869 |
| logD: | 4.9869 |
| logSw: | -4.6663 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.273 |
| InChI Key: | IOMFPFLJIJXYAH-UHFFFAOYSA-N |