3-[(3-methylbenzene-1-sulfonyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3-methylbenzene-1-sulfonyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(3-methylbenzene-1-sulfonyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0732 |
| Compound Name: | 3-[(3-methylbenzene-1-sulfonyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.66 |
| Molecular Formula: | C25 H33 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(Nc1cc(ccc1N1CCNCC1)C(NCCCN1CCCC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0741 |
| logD: | 1.0741 |
| logSw: | -2.5051 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.069 |
| InChI Key: | WRGLIGMNBCGNFG-UHFFFAOYSA-N |