1-(4-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}phenyl)-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-(4-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}phenyl)-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-(4-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}phenyl)-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0054 |
| Compound Name: | 1-(4-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}phenyl)-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 570.63 |
| Molecular Formula: | C25 H32 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1ccc(cc1)C1(CC1)C(NCC1CCCO1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1205 |
| logD: | 4.1083 |
| logSw: | -4.1245 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.207 |
| InChI Key: | GHLITSCDZPHVOO-JOCHJYFZSA-N |