1-{4-[(4-ethylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-ethylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-ethylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0021 |
| Compound Name: | 1-{4-[(4-ethylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 528.59 |
| Molecular Formula: | C23 H30 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(cc1)C1(CC1)C(NCCC(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8466 |
| logD: | 4.8344 |
| logSw: | -4.4703 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.666 |
| InChI Key: | FHWOBJVVSGQELU-UHFFFAOYSA-N |