1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-(butan-2-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-(butan-2-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-(butan-2-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0193 |
| Compound Name: | 1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-(butan-2-yl)cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 557.59 |
| Molecular Formula: | C23 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCC(C)NC(C1(CC1)c1ccc(cc1)NS(c1cc(C)ccc1NC(C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2142 |
| logD: | 2.0587 |
| logSw: | -2.858 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.83 |
| InChI Key: | VXKLSEGKCDBLER-INIZCTEOSA-N |