5-[(2-methylbenzene-1-sulfonyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(2-methylbenzene-1-sulfonyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
5-[(2-methylbenzene-1-sulfonyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0540 |
| Compound Name: | 5-[(2-methylbenzene-1-sulfonyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.66 |
| Molecular Formula: | C25 H33 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1S(Nc1ccc(c(c1)C(NCCCN1CCCC1=O)=O)N1CCNCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2506 |
| logD: | -0.225 |
| logSw: | -2.4534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.767 |
| InChI Key: | AFVOKTMQBSERAJ-UHFFFAOYSA-N |