7-(4-benzylpiperazine-1-carbonyl)-3-methyl-4-propyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
7-(4-benzylpiperazine-1-carbonyl)-3-methyl-4-propyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
7-(4-benzylpiperazine-1-carbonyl)-3-methyl-4-propyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | J049-0933 |
| Compound Name: | 7-(4-benzylpiperazine-1-carbonyl)-3-methyl-4-propyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | CCCN1C(C)=NS(c2cc(ccc12)C(N1CCN(CC1)Cc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3381 |
| logD: | 2.3227 |
| logSw: | -2.8211 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.766 |
| InChI Key: | HCBYUBUSNKRWTE-UHFFFAOYSA-N |