4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]-N-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]-N-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]-N-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0610 |
| Compound Name: | 4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]-N-propylbenzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 519.56 |
| Molecular Formula: | C16 H27 N3 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | CCCN(CCS(N1CCNCC1)(=O)=O)S(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8986 |
| logD: | 0.554 |
| logSw: | -2.3155 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.952 |
| InChI Key: | CCMPCXCXLSTJOP-UHFFFAOYSA-N |