2-[5-bromo-3-(trifluoroacetyl)-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-(trifluoroacetyl)-1H-indol-1-yl]-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-[5-bromo-3-(trifluoroacetyl)-1H-indol-1-yl]-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-1985 |
| Compound Name: | 2-[5-bromo-3-(trifluoroacetyl)-1H-indol-1-yl]-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 525.32 |
| Molecular Formula: | C23 H20 Br F3 N2 O4 |
| Smiles: | Cc1cc2c(cc1CNC(Cn1cc(C(C(F)(F)F)=O)c3cc(ccc13)[Br])=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.1669 |
| logD: | 4.1669 |
| logSw: | -4.1623 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.335 |
| InChI Key: | AZQWKJDUOBVFAD-UHFFFAOYSA-N |