N-(butan-2-yl)-1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(butan-2-yl)-1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
N-(butan-2-yl)-1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0176 |
| Compound Name: | N-(butan-2-yl)-1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 514.56 |
| Molecular Formula: | C22 H28 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCC(C)NC(C1(CC1)c1ccc(cc1)NS(c1cc(C)ccc1C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9614 |
| logD: | 3.9031 |
| logSw: | -3.9194 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.266 |
| InChI Key: | JFPWUJHFBWMXEA-KRWDZBQOSA-N |