1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0480 |
| Compound Name: | 1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 498.52 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(Nc1ccc(cc1)C1(CC1)C(NCC=C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4848 |
| logD: | 3.4266 |
| logSw: | -3.6549 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.666 |
| InChI Key: | RIXKWORHIPYRTR-UHFFFAOYSA-N |