3-({[1'-(ethanesulfonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carbonyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
3-({[1'-(ethanesulfonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carbonyl]amino}methyl)benzoic acid
3-({[1'-(ethanesulfonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carbonyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | SA91-0250 |
| Compound Name: | 3-({[1'-(ethanesulfonyl)-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carbonyl]amino}methyl)benzoic acid |
| Molecular Weight: | 485.56 |
| Molecular Formula: | C24 H27 N3 O6 S |
| Smiles: | CCS(N1CCC2(CC1)C(N(C)c1ccc(cc12)C(NCc1cccc(c1)C(O)=O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8811 |
| logD: | -1.4802 |
| logSw: | -2.666 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.171 |
| InChI Key: | QWTBKSGMJUJFHU-UHFFFAOYSA-N |