4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0006 |
| Compound Name: | 4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 586.65 |
| Molecular Formula: | C20 H32 N4 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)S(N(CCCN1CCCC1=O)CCS(N1CCNCC1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0877 |
| logD: | -0.4324 |
| logSw: | -2.2524 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.649 |
| InChI Key: | IBQKMXBSHYGRIP-UHFFFAOYSA-N |