ethyl 4-[2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | E587-0436 |
| Compound Name: | ethyl 4-[2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1cn(CC(N2CCCCCC2)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6313 |
| logD: | 4.6312 |
| logSw: | -3.9984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.326 |
| InChI Key: | VNHAGNMOSMPFCL-UHFFFAOYSA-N |