1-{4-[(4-acetamidobenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(4-acetamidobenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(4-acetamidobenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0041 |
| Compound Name: | 1-{4-[(4-acetamidobenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.57 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(cc1)S(Nc1ccc(cc1)C1(CC1)C(NCC1CCCO1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6413 |
| logD: | 1.6396 |
| logSw: | -2.4363 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.469 |
| InChI Key: | AUPTVDXGKFDDEQ-HXUWFJFHSA-N |