5-[(4-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-[(4-methylbenzene-1-sulfonyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
5-[(4-methylbenzene-1-sulfonyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0222 |
| Compound Name: | 5-[(4-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: | Cc1ccc(cc1)S(Nc1ccc(c(c1)C(NCCCN1CCCC1=O)=O)N1CCNCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5109 |
| logD: | 0.0353 |
| logSw: | -2.6977 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.767 |
| InChI Key: | AYGSAINHFCESIK-UHFFFAOYSA-N |