1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-(propan-2-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-(propan-2-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-(propan-2-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0128 |
| Compound Name: | 1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-(propan-2-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 524.92 |
| Molecular Formula: | C19 H20 Cl F N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(C1(CC1)c1ccc(cc1)NS(c1ccc(c(c1)[Cl])F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4697 |
| logD: | 3.4383 |
| logSw: | -3.9018 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.799 |
| InChI Key: | XXPWXPUQIIQNLY-UHFFFAOYSA-N |