1-{4-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0034 |
| Compound Name: | 1-{4-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 549.01 |
| Molecular Formula: | C22 H27 Cl N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCNC(C1(CC1)c1ccc(cc1)NS(c1ccc(C)c(c1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9758 |
| logD: | 4.9636 |
| logSw: | -5.0886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.666 |
| InChI Key: | GGFGVRNPABWPGK-UHFFFAOYSA-N |