2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L126-0005 |
| Compound Name: | 2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 550.6 |
| Molecular Formula: | C21 H32 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1C(N(CCCN1CCCC1=O)CCS(N1CCNCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3911 |
| logD: | -0.7357 |
| logSw: | -2.0984 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.484 |
| InChI Key: | ATVLSZCLERHBOU-UHFFFAOYSA-N |