4-chloro-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-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0001 |
| Compound Name: | 4-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.07 |
| Molecular Formula: | C19 H29 Cl N4 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CC(N(C1)CCCN(CCS(N1CCNCC1)(=O)=O)S(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0836 |
| logD: | -0.261 |
| logSw: | -2.7133 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.649 |
| InChI Key: | LSBAUYZJMFMTFH-UHFFFAOYSA-N |