N-(3-methylbutyl)-1-{4-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-methylbutyl)-1-{4-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
N-(3-methylbutyl)-1-{4-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0033 |
| Compound Name: | N-(3-methylbutyl)-1-{4-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 542.62 |
| Molecular Formula: | C24 H32 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCNC(C1(CC1)c1ccc(cc1)NS(c1c(C)cc(C)cc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3483 |
| logD: | 5.1118 |
| logSw: | -5.3379 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.666 |
| InChI Key: | PELLQJYFXRGVCF-UHFFFAOYSA-N |