7-(4-benzylpiperazine-1-carbonyl)-3-methyl-4-(2-methylpropyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
7-(4-benzylpiperazine-1-carbonyl)-3-methyl-4-(2-methylpropyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
7-(4-benzylpiperazine-1-carbonyl)-3-methyl-4-(2-methylpropyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | J049-2173 |
| Compound Name: | 7-(4-benzylpiperazine-1-carbonyl)-3-methyl-4-(2-methylpropyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C24 H30 N4 O3 S |
| Smiles: | CC(C)CN1C(C)=NS(c2cc(ccc12)C(N1CCN(CC1)Cc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7901 |
| logD: | 2.7746 |
| logSw: | -3.3659 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.788 |
| InChI Key: | YBIBGYSWEOBTPT-UHFFFAOYSA-N |