N-benzyl-1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-benzyl-1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
N-benzyl-1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0159 |
| Compound Name: | N-benzyl-1-{4-[(4-tert-butylbenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 576.63 |
| Molecular Formula: | C27 H30 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)(C)c1ccc(cc1)S(Nc1ccc(cc1)C1(CC1)C(NCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.684 |
| logD: | 5.6718 |
| logSw: | -5.5858 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.553 |
| InChI Key: | HSYKVTCAHSMBGJ-UHFFFAOYSA-N |