3-({[1'-(3,3-dimethylbutanoyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carbonyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
3-({[1'-(3,3-dimethylbutanoyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carbonyl]amino}methyl)benzoic acid
3-({[1'-(3,3-dimethylbutanoyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carbonyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | SA91-0142 |
| Compound Name: | 3-({[1'-(3,3-dimethylbutanoyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carbonyl]amino}methyl)benzoic acid |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C28 H33 N3 O5 |
| Smiles: | CC(C)(C)CC(N1CCC2(CC1)C(N(C)c1ccc(cc12)C(NCc1cccc(c1)C(O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1857 |
| logD: | -0.1756 |
| logSw: | -3.4078 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.687 |
| InChI Key: | FPHPTJZJLMLWSG-UHFFFAOYSA-N |