5-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Chemical Structure Depiction of
5-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
5-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Compound characteristics
| Compound ID: | L051-0069 |
| Compound Name: | 5-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione |
| Molecular Weight: | 456.95 |
| Molecular Formula: | C23 H21 Cl N2 O4 S |
| Smiles: | COc1cccc(CN2CC(N(Cc3ccc(cc3)[Cl])c3ccccc3S2(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3369 |
| logD: | 4.3369 |
| logSw: | -4.5959 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.817 |
| InChI Key: | QWDDUBXNLUEIHK-UHFFFAOYSA-N |