1-{4-[(4-acetamidobenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-acetamidobenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-acetamidobenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0477 |
| Compound Name: | 1-{4-[(4-acetamidobenzene-1-sulfonyl)amino]phenyl}-N-(prop-2-en-1-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 527.52 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(cc1)S(Nc1ccc(cc1)C1(CC1)C(NCC=C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9203 |
| logD: | 1.9187 |
| logSw: | -2.6345 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.928 |
| InChI Key: | CQKOINOINSTZBN-UHFFFAOYSA-N |