N-(3-methoxypropyl)-2,5-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-methoxypropyl)-2,5-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-(3-methoxypropyl)-2,5-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0588 |
| Compound Name: | N-(3-methoxypropyl)-2,5-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 497.53 |
| Molecular Formula: | C18 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(N(CCCOC)CC(N1CCNCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8736 |
| logD: | 0.3141 |
| logSw: | -2.3608 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.288 |
| InChI Key: | VBLFTHFHGJGFHZ-UHFFFAOYSA-N |