N-[(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-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-methyl-3-(trifluoroacetyl)-1H-indol-1-yl]acetamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-methyl-3-(trifluoroacetyl)-1H-indol-1-yl]acetamide
Compound characteristics
| Compound ID: | J031-1317 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[2-methyl-3-(trifluoroacetyl)-1H-indol-1-yl]acetamide |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C23 H21 F3 N2 O4 |
| Smiles: | Cc1c(C(C(F)(F)F)=O)c2ccccc2n1CC(NCc1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3719 |
| logD: | 3.3719 |
| logSw: | -3.8004 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.803 |
| InChI Key: | AVXQZXPKGJXYCX-UHFFFAOYSA-N |