2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Chemical Structure Depiction of
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Compound characteristics
| Compound ID: | IB09-3975 |
| Compound Name: | 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | C(CN1C(c2ccccc2S1(=O)=O)=O)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.93 |
| logD: | 0.92 |
| logSw: | -2.11 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 135.82 |
| InChI Key: | JRKDKGWLVXUOCQ-UHFFFAOYSA-N |