1-{4-[(4-bromobenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-bromobenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-bromobenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0036 |
| Compound Name: | 1-{4-[(4-bromobenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 593.42 |
| Molecular Formula: | C21 H23 Br N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CC(CNC(C2(CC2)c2ccc(cc2)NS(c2ccc(cc2)[Br])(=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.274 |
| logD: | 3.2426 |
| logSw: | -3.616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.207 |
| InChI Key: | XPFSRXUEMVXXGU-GOSISDBHSA-N |