5-benzyl-2-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Chemical Structure Depiction of
5-benzyl-2-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
5-benzyl-2-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Compound characteristics
| Compound ID: | L051-0106 |
| Compound Name: | 5-benzyl-2-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C24 H24 N2 O3 S |
| Smiles: | Cc1ccc(C)c(CN2CC(N(Cc3ccccc3)c3ccccc3S2(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8647 |
| logD: | 4.8647 |
| logSw: | -4.5809 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.273 |
| InChI Key: | OPTBAWWYZMPXQC-UHFFFAOYSA-N |