N-cyclopentyl-1-{4-[(2,5-dimethoxybenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-cyclopentyl-1-{4-[(2,5-dimethoxybenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
N-cyclopentyl-1-{4-[(2,5-dimethoxybenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0248 |
| Compound Name: | N-cyclopentyl-1-{4-[(2,5-dimethoxybenzene-1-sulfonyl)amino]phenyl}cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 558.57 |
| Molecular Formula: | C23 H28 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(c(c1)S(Nc1ccc(cc1)C1(CC1)C(NC1CCCC1)=O)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6196 |
| logD: | 3.6157 |
| logSw: | -3.9932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.818 |
| InChI Key: | PDBNDJJWMLKYMZ-UHFFFAOYSA-N |