N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(trifluoroacetyl)-1H-indol-1-yl]acetamide
Chemical Structure Depiction of
N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(trifluoroacetyl)-1H-indol-1-yl]acetamide
N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(trifluoroacetyl)-1H-indol-1-yl]acetamide
Compound characteristics
| Compound ID: | J031-1986 |
| Compound Name: | N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(trifluoroacetyl)-1H-indol-1-yl]acetamide |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C23 H21 F3 N2 O4 |
| Smiles: | Cc1cc2c(cc1CNC(Cn1cc(C(C(F)(F)F)=O)c3ccccc13)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.3503 |
| logD: | 3.3503 |
| logSw: | -3.4738 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.335 |
| InChI Key: | ZBNGRODHAPCWGQ-UHFFFAOYSA-N |