N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{3-[oxo(pyrrolidin-1-yl)acetyl]-1H-indol-1-yl}acetamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{3-[oxo(pyrrolidin-1-yl)acetyl]-1H-indol-1-yl}acetamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{3-[oxo(pyrrolidin-1-yl)acetyl]-1H-indol-1-yl}acetamide
Compound characteristics
| Compound ID: | J031-1557 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-{3-[oxo(pyrrolidin-1-yl)acetyl]-1H-indol-1-yl}acetamide |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C26 H27 N3 O5 |
| Smiles: | C1CCN(C1)C(C(c1cn(CC(NCc2ccc3c(c2)OCCCO3)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3079 |
| logD: | 2.3079 |
| logSw: | -3.0191 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.349 |
| InChI Key: | ORBBWEDPBRLVAT-UHFFFAOYSA-N |