1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L164-0061 |
| Compound Name: | 1-{4-[(2-acetamido-5-methylbenzene-1-sulfonyl)amino]phenyl}-N-[(oxolan-2-yl)methyl]cyclopropane-1-carboxamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 585.6 |
| Molecular Formula: | C24 H29 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(Nc1ccc(C)cc1S(Nc1ccc(cc1)C1(CC1)C(NCC1CCCO1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4585 |
| logD: | 1.3031 |
| logSw: | -2.2998 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.771 |
| InChI Key: | FIDHYRSPMMHIAY-HXUWFJFHSA-N |