5-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Chemical Structure Depiction of
5-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
5-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Compound characteristics
| Compound ID: | L051-0004 |
| Compound Name: | 5-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione |
| Molecular Weight: | 424.49 |
| Molecular Formula: | C23 H21 F N2 O3 S |
| Smiles: | Cc1ccc(CN2CC(N(Cc3ccc(cc3)F)c3ccccc3S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1392 |
| logD: | 4.1392 |
| logSw: | -4.1785 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.273 |
| InChI Key: | VEDFJYCCGXADGA-UHFFFAOYSA-N |