1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(2-phenylethyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(2-phenylethyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(2-phenylethyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0342 |
| Compound Name: | 1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(2-phenylethyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 562.61 |
| Molecular Formula: | C26 H28 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(Nc1ccc(cc1)C1(CC1)C(NCCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5887 |
| logD: | 4.5305 |
| logSw: | -4.3632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.395 |
| InChI Key: | UCUNXKSBPRINBV-UHFFFAOYSA-N |