dimethyl 5-{[1-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)piperidine-3-carbonyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[1-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)piperidine-3-carbonyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[1-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)piperidine-3-carbonyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C259-1050 |
| Compound Name: | dimethyl 5-{[1-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)piperidine-3-carbonyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 636.52 |
| Molecular Formula: | C27 H30 Br N3 O8 S |
| Smiles: | CCC(N1CCc2cc(c(cc12)S(N1CCCC(C1)C(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O)(=O)=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8392 |
| logD: | 3.8387 |
| logSw: | -4.0046 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.745 |
| InChI Key: | BSCDMGQWMBLHEJ-KRWDZBQOSA-N |