2-{3-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}-N,N-di(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{3-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}-N,N-di(propan-2-yl)acetamide
2-{3-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}-N,N-di(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | E587-0737 |
| Compound Name: | 2-{3-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}-N,N-di(propan-2-yl)acetamide |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | CC(C)N(C(C)C)C(Cn1cc(c2ccccc12)SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.709 |
| logD: | 3.709 |
| logSw: | -3.8715 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.108 |
| InChI Key: | VVXYJIVGTAXOEA-UHFFFAOYSA-N |