1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-cyclohexylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-cyclohexylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-cyclohexylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0806 |
| Compound Name: | 1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-cyclohexylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 564.98 |
| Molecular Formula: | C22 H24 Cl F N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | C1CCC(CC1)NC(C1(CC1)c1ccc(cc1)NS(c1ccc(c(c1)[Cl])F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6484 |
| logD: | 4.617 |
| logSw: | -4.8555 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.278 |
| InChI Key: | KDYNKAOHZUQPJT-UHFFFAOYSA-N |