2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-benzylacetamide
Chemical Structure Depiction of
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-benzylacetamide
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-benzylacetamide
Compound characteristics
Compound ID: | E587-0444 |
Compound Name: | 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-benzylacetamide |
Molecular Weight: | 435.59 |
Molecular Formula: | C25 H29 N3 O2 S |
Smiles: | C1CCCN(CC1)C(Cn1cc(c2ccccc12)SCC(NCc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7112 |
logD: | 3.7112 |
logSw: | -3.8314 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.894 |
InChI Key: | OHWIWGSTKWFSBC-UHFFFAOYSA-N |