butan-2-yl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Chemical Structure Depiction of
butan-2-yl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
butan-2-yl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Compound characteristics
Compound ID: | C276-0172 |
Compound Name: | butan-2-yl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate |
Molecular Weight: | 325.41 |
Molecular Formula: | C20 H23 N O3 |
Smiles: | CCC(C)OC(c1c(C)c2C(CC(Cc2[nH]1)c1ccccc1)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.6832 |
logD: | 4.6832 |
logSw: | -4.4777 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.357 |
InChI Key: | BSUNLLCMKZGFRQ-UHFFFAOYSA-N |