2-(5-bromo-3-formyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide
Chemical Structure Depiction of
2-(5-bromo-3-formyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide
2-(5-bromo-3-formyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | J031-1306 |
| Compound Name: | 2-(5-bromo-3-formyl-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide |
| Molecular Weight: | 457.32 |
| Molecular Formula: | C22 H21 Br N2 O4 |
| Smiles: | CC(c1ccc2c(c1)OCCCO2)NC(Cn1cc(C=O)c2cc(ccc12)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3261 |
| logD: | 3.3261 |
| logSw: | -3.3887 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.919 |
| InChI Key: | PDCQJEOSIWYETR-AWEZNQCLSA-N |