1-{4-[(4-methoxybenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-methoxybenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-methoxybenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0004 |
| Compound Name: | 1-{4-[(4-methoxybenzene-1-sulfonyl)amino]phenyl}-N-(3-methylbutyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 530.56 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCNC(C1(CC1)c1ccc(cc1)NS(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8983 |
| logD: | 3.8971 |
| logSw: | -4.0706 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.21 |
| InChI Key: | AFQQMDHHVMQCBI-UHFFFAOYSA-N |