1-{4-[(4-ethylbenzene-1-sulfonyl)amino]phenyl}-N-(2-methylpropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-ethylbenzene-1-sulfonyl)amino]phenyl}-N-(2-methylpropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-ethylbenzene-1-sulfonyl)amino]phenyl}-N-(2-methylpropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0697 |
| Compound Name: | 1-{4-[(4-ethylbenzene-1-sulfonyl)amino]phenyl}-N-(2-methylpropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 514.56 |
| Molecular Formula: | C22 H28 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(cc1)C1(CC1)C(NCC(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4054 |
| logD: | 4.3932 |
| logSw: | -4.1415 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.825 |
| InChI Key: | WOUPHECCNABGSO-UHFFFAOYSA-N |