[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidin-2-yl][3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidin-2-yl][3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
[1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidin-2-yl][3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | C548-3194 |
| Compound Name: | [1-(2,1,3-benzothiadiazole-4-sulfonyl)pyrrolidin-2-yl][3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 485.63 |
| Molecular Formula: | C23 H27 N5 O3 S2 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(C1CCCN1S(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3812 |
| logD: | 3.381 |
| logSw: | -3.6333 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.866 |
| InChI Key: | ZABIISZHMGQGSB-UHFFFAOYSA-N |