N-cycloheptyl-1-{4-[(2,5-dimethoxybenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-cycloheptyl-1-{4-[(2,5-dimethoxybenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
N-cycloheptyl-1-{4-[(2,5-dimethoxybenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0213 |
| Compound Name: | N-cycloheptyl-1-{4-[(2,5-dimethoxybenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 586.63 |
| Molecular Formula: | C25 H32 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(c(c1)S(Nc1ccc(cc1)C1(CC1)C(NC1CCCCCC1)=O)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5709 |
| logD: | 4.567 |
| logSw: | -4.4639 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.784 |
| InChI Key: | RJIPYERUXKAFOT-UHFFFAOYSA-N |