1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | L164-0031 |
Compound Name: | 1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 552.97 |
Molecular Formula: | C21 H24 Cl F N2 O3 S |
Salt: | CF3COOH |
Smiles: | CC(C)CCNC(C1(CC1)c1ccc(cc1)NS(c1ccc(c(c1)[Cl])F)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.3157 |
logD: | 4.2843 |
logSw: | -4.4613 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.666 |
InChI Key: | WRESVBQBBIIZDT-UHFFFAOYSA-N |