2,5-dimethyl-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2,5-dimethyl-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2,5-dimethyl-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0689 |
| Compound Name: | 2,5-dimethyl-N-(3-phenylpropyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 593.68 |
| Molecular Formula: | C23 H33 N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(N(CCCc1ccccc1)CCS(N1CCNCC1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0823 |
| logD: | 2.7376 |
| logSw: | -3.3675 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.136 |
| InChI Key: | AQJBQTFJUGAFKL-UHFFFAOYSA-N |