4-chloro-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-chloro-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-chloro-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0683 |
| Compound Name: | 4-chloro-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 600.08 |
| Molecular Formula: | C21 H28 Cl N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C(Cc1ccccc1)CN(CCS(N1CCNCC1)(=O)=O)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.917 |
| logD: | 2.5723 |
| logSw: | -3.6454 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.136 |
| InChI Key: | JPBNMQMBQDLOID-UHFFFAOYSA-N |