2-(5-bromo-3-cyano-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-cyano-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide
2-(5-bromo-3-cyano-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | J031-1300 |
| Compound Name: | 2-(5-bromo-3-cyano-1H-indol-1-yl)-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]acetamide |
| Molecular Weight: | 454.32 |
| Molecular Formula: | C22 H20 Br N3 O3 |
| Smiles: | CC(c1ccc2c(c1)OCCCO2)NC(Cn1cc(C#N)c2cc(ccc12)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4515 |
| logD: | 3.4515 |
| logSw: | -3.6383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.816 |
| InChI Key: | BHXJSZINVBKZOC-AWEZNQCLSA-N |