N-(butan-2-yl)-1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(butan-2-yl)-1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
N-(butan-2-yl)-1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0198 |
| Compound Name: | N-(butan-2-yl)-1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 538.94 |
| Molecular Formula: | C20 H22 Cl F N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCC(C)NC(C1(CC1)c1ccc(cc1)NS(c1ccc(c(c1)[Cl])F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5955 |
| logD: | 3.5641 |
| logSw: | -3.958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.266 |
| InChI Key: | WBEGCTNFORGDJP-ZDUSSCGKSA-N |