1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-cycloheptylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-cycloheptylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-cycloheptylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0233 |
| Compound Name: | 1-{4-[(3-chloro-4-fluorobenzene-1-sulfonyl)amino]phenyl}-N-cycloheptylcyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 579.01 |
| Molecular Formula: | C23 H26 Cl F N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | C1CCCC(CC1)NC(C1(CC1)c1ccc(cc1)NS(c1ccc(c(c1)[Cl])F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1443 |
| logD: | 5.1129 |
| logSw: | -5.7474 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.609 |
| InChI Key: | BDKILRSUKVHIRE-UHFFFAOYSA-N |