ethyl 3-{[1-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)piperidine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[1-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)piperidine-3-carbonyl]amino}benzoate
ethyl 3-{[1-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)piperidine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C259-1078 |
| Compound Name: | ethyl 3-{[1-(5-bromo-1-propanoyl-2,3-dihydro-1H-indole-6-sulfonyl)piperidine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 592.51 |
| Molecular Formula: | C26 H30 Br N3 O6 S |
| Smiles: | CCC(N1CCc2cc(c(cc12)S(N1CCCC(C1)C(Nc1cccc(c1)C(=O)OCC)=O)(=O)=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1324 |
| logD: | 4.1322 |
| logSw: | -4.1689 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.151 |
| InChI Key: | NYMBVCXWTMJFGI-IBGZPJMESA-N |