1-{4-[(3,4-dimethoxybenzene-1-sulfonyl)amino]phenyl}-N-(3-phenylpropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(3,4-dimethoxybenzene-1-sulfonyl)amino]phenyl}-N-(3-phenylpropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(3,4-dimethoxybenzene-1-sulfonyl)amino]phenyl}-N-(3-phenylpropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0721 |
| Compound Name: | 1-{4-[(3,4-dimethoxybenzene-1-sulfonyl)amino]phenyl}-N-(3-phenylpropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 608.63 |
| Molecular Formula: | C27 H30 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1OC)S(Nc1ccc(cc1)C1(CC1)C(NCCCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3096 |
| logD: | 4.3092 |
| logSw: | -4.3922 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.655 |
| InChI Key: | OKRSFMDPMLSALB-UHFFFAOYSA-N |