N-(2-phenylethyl)-1-{4-[(4-propanamidobenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(2-phenylethyl)-1-{4-[(4-propanamidobenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
N-(2-phenylethyl)-1-{4-[(4-propanamidobenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0351 |
| Compound Name: | N-(2-phenylethyl)-1-{4-[(4-propanamidobenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 605.63 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCC(Nc1ccc(cc1)S(Nc1ccc(cc1)C1(CC1)C(NCCc1ccccc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5321 |
| logD: | 3.5304 |
| logSw: | -3.8339 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.544 |
| InChI Key: | QGXKAVUBIJQZDK-UHFFFAOYSA-N |