1-{4-[(2,5-dimethoxybenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2,5-dimethoxybenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2,5-dimethoxybenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0482 |
| Compound Name: | 1-{4-[(2,5-dimethoxybenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 530.52 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(c(c1)S(Nc1ccc(cc1)C1(CC1)C(NCC=C)=O)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5455 |
| logD: | 2.5416 |
| logSw: | -2.9965 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.84 |
| InChI Key: | BNKGICDYVYJMDM-UHFFFAOYSA-N |