ethyl 2-(2-phenylbutanamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-phenylbutanamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-phenylbutanamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | V011-2136 |
Compound Name: | ethyl 2-(2-phenylbutanamido)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 413.58 |
Molecular Formula: | C24 H31 N O3 S |
Smiles: | CCCC1CCc2c(C(=O)OCC)c(NC(C(CC)c3ccccc3)=O)sc2C1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 6.5268 |
logD: | 3.3296 |
logSw: | -5.8614 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.798 |
InChI Key: | RLVOLSWHYLHCHB-UHFFFAOYSA-N |