1-(4-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}phenyl)-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-(4-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}phenyl)-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-(4-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}phenyl)-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0489 |
| Compound Name: | 1-(4-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}phenyl)-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 512.55 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccc(cc1)C1(CC1)C(NCC=C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0573 |
| logD: | 4.0451 |
| logSw: | -4.1067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.666 |
| InChI Key: | WCUFIXPDDMISEA-UHFFFAOYSA-N |