1-{4-[(4-methoxybenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-methoxybenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-methoxybenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0039 |
| Compound Name: | 1-{4-[(4-methoxybenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 544.55 |
| Molecular Formula: | C22 H26 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(Nc1ccc(cc1)C1(CC1)C(NCC1CCCO1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4225 |
| logD: | 2.4212 |
| logSw: | -2.7654 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.751 |
| InChI Key: | QKRYPXICZIRPCI-LJQANCHMSA-N |