1-{4-[(2-methylbenzene-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-methylbenzene-1-sulfonyl)amino]phenyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2-methylbenzene-1-sulfonyl)amino]phenyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0086 |
| Compound Name: | 1-{4-[(2-methylbenzene-1-sulfonyl)amino]phenyl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 569.6 |
| Molecular Formula: | C24 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1S(Nc1ccc(cc1)C1(CC1)C(NCCCN1CCCC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8763 |
| logD: | 1.8181 |
| logSw: | -2.6358 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.907 |
| InChI Key: | UXCSQSSGZMSHFX-UHFFFAOYSA-N |