2-(5-bromo-3-formyl-1H-indol-1-yl)-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Chemical Structure Depiction of
2-(5-bromo-3-formyl-1H-indol-1-yl)-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-(5-bromo-3-formyl-1H-indol-1-yl)-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-1984 |
| Compound Name: | 2-(5-bromo-3-formyl-1H-indol-1-yl)-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 457.32 |
| Molecular Formula: | C22 H21 Br N2 O4 |
| Smiles: | Cc1cc2c(cc1CNC(Cn1cc(C=O)c3cc(ccc13)[Br])=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.1963 |
| logD: | 3.1963 |
| logSw: | -2.9541 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.755 |
| InChI Key: | YQLTZVFQFIMFGF-UHFFFAOYSA-N |