N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(2-fluorobenzoyl)-1H-indol-1-yl]acetamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(2-fluorobenzoyl)-1H-indol-1-yl]acetamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(2-fluorobenzoyl)-1H-indol-1-yl]acetamide
Compound characteristics
| Compound ID: | J031-1443 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(2-fluorobenzoyl)-1H-indol-1-yl]acetamide |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C27 H23 F N2 O4 |
| Smiles: | C1COc2ccc(CNC(Cn3cc(C(c4ccccc4F)=O)c4ccccc34)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 3.9465 |
| logD: | 3.9465 |
| logSw: | -3.9887 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.063 |
| InChI Key: | QJPJNUSXYVYCNQ-UHFFFAOYSA-N |