N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0245 |
| Compound Name: | N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 427.57 |
| Molecular Formula: | C22 H29 N5 O2 S |
| Smiles: | CCN1CCN(CCNC(CN2C(CSc3cccn3c3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.3783 |
| logD: | 0.5857 |
| logSw: | -2.2668 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.139 |
| InChI Key: | GMWKJPZGPCJFPN-UHFFFAOYSA-N |