N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(thiophene-2-carbonyl)-1H-indol-1-yl]acetamide
Chemical Structure Depiction of
N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(thiophene-2-carbonyl)-1H-indol-1-yl]acetamide
N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(thiophene-2-carbonyl)-1H-indol-1-yl]acetamide
Compound characteristics
| Compound ID: | J031-1995 |
| Compound Name: | N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[3-(thiophene-2-carbonyl)-1H-indol-1-yl]acetamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C26 H24 N2 O4 S |
| Smiles: | Cc1cc2c(cc1CNC(Cn1cc(C(c3cccs3)=O)c3ccccc13)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.0204 |
| logD: | 4.0204 |
| logSw: | -3.961 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.082 |
| InChI Key: | JKJPAOOTLWQESN-UHFFFAOYSA-N |