4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-N-ethylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-N-ethylbenzene-1-sulfonamide
4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-N-ethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8017-7044 |
| Compound Name: | 4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-N-ethylbenzene-1-sulfonamide |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C23 H29 N3 O5 S |
| Smiles: | CCNS(c1ccc(CCC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4633 |
| logD: | 2.1191 |
| logSw: | -2.9487 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.671 |
| InChI Key: | NDGSCBKWPUMZIF-UHFFFAOYSA-N |