N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-{4-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-{4-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-{4-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0091 |
| Compound Name: | N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-{4-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 597.65 |
| Molecular Formula: | C26 H33 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1ccc(cc1)C1(CC1)C(NCCCN1CCCC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0513 |
| logD: | 2.993 |
| logSw: | -3.4547 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.907 |
| InChI Key: | KGOTYGHSQUWIJJ-UHFFFAOYSA-N |