4-methoxy-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-methoxy-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-methoxy-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0685 |
| Compound Name: | 4-methoxy-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 595.66 |
| Molecular Formula: | C22 H31 N3 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(N(CCCc1ccccc1)CCS(N1CCNCC1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3046 |
| logD: | 1.9599 |
| logSw: | -2.6518 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.68 |
| InChI Key: | NDEUORQUIWNXQK-UHFFFAOYSA-N |