methyl 4-[2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | E587-0631 |
| Compound Name: | methyl 4-[2-({1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Smiles: | CC1CN(CC(C)O1)C(Cn1cc(c2ccccc12)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0047 |
| logD: | 3.0046 |
| logSw: | -3.2707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.347 |
| InChI Key: | VJJITDRFWDQTQD-UHFFFAOYSA-N |