1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methoxypropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methoxypropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methoxypropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0515 |
| Compound Name: | 1-{4-[(2,5-dimethylbenzene-1-sulfonyl)amino]phenyl}-N-(3-methoxypropyl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 530.56 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(Nc1ccc(cc1)C1(CC1)C(NCCCOC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3475 |
| logD: | 3.2892 |
| logSw: | -3.5741 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.008 |
| InChI Key: | IWRDZBJBOFGTMZ-UHFFFAOYSA-N |