N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-methyl-3-(trifluoroacetyl)-1H-indol-1-yl]acetamide
Chemical Structure Depiction of
N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-methyl-3-(trifluoroacetyl)-1H-indol-1-yl]acetamide
N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-methyl-3-(trifluoroacetyl)-1H-indol-1-yl]acetamide
Compound characteristics
| Compound ID: | J031-1321 |
| Compound Name: | N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-methyl-3-(trifluoroacetyl)-1H-indol-1-yl]acetamide |
| Molecular Weight: | 476.45 |
| Molecular Formula: | C24 H23 F3 N2 O5 |
| Smiles: | Cc1c(C(C(F)(F)F)=O)c2ccccc2n1CC(NCc1cc2c(cc1OC)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4046 |
| logD: | 3.4046 |
| logSw: | -3.9905 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.434 |
| InChI Key: | IIBLBYAHJZFASR-UHFFFAOYSA-N |