2-(3-butanoyl-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Chemical Structure Depiction of
2-(3-butanoyl-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-(3-butanoyl-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-1413 |
| Compound Name: | 2-(3-butanoyl-1H-indol-1-yl)-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C24 H26 N2 O4 |
| Smiles: | CCCC(c1cn(CC(NCc2ccc3c(c2)OCCCO3)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4258 |
| logD: | 3.4258 |
| logSw: | -3.6162 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.843 |
| InChI Key: | NTQRJVIHCPGSLL-UHFFFAOYSA-N |