1-{4-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]phenyl}-N-cyclopropylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]phenyl}-N-cyclopropylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]phenyl}-N-cyclopropylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0640 |
| Compound Name: | 1-{4-[(3-chloro-4-methylbenzene-1-sulfonyl)amino]phenyl}-N-cyclopropylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 518.94 |
| Molecular Formula: | C20 H21 Cl N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1[Cl])S(Nc1ccc(cc1)C1(CC1)C(NC1CC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9214 |
| logD: | 3.9092 |
| logSw: | -4.3412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.609 |
| InChI Key: | WGBBDLXLPPSKRX-UHFFFAOYSA-N |