1-{4-[(2,4-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2,4-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2,4-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0452 |
| Compound Name: | 1-{4-[(2,4-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 554.63 |
| Molecular Formula: | C25 H32 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC1CCC(CC1)NC(C1(CC1)c1ccc(cc1)NS(c1ccc(C)cc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9364 |
| logD: | 5.8781 |
| logSw: | -5.3982 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.278 |
| InChI Key: | JORRWCXHNHKWBO-UHFFFAOYSA-N |