1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0078 |
| Compound Name: | 1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 583.63 |
| Molecular Formula: | C25 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(Nc1ccc(cc1)C1(CC1)C(NCCCN1CCCC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.479 |
| logD: | 2.4207 |
| logSw: | -2.9429 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.907 |
| InChI Key: | YHLZDJYGUVGKCC-UHFFFAOYSA-N |