7-[(dibenzylamino)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-[(dibenzylamino)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-[(dibenzylamino)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
Compound ID: | G768-2002 |
Compound Name: | 7-[(dibenzylamino)methyl]-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
Molecular Weight: | 390.51 |
Molecular Formula: | C22 H22 N4 O S |
Smiles: | CCC1=NN2C(=NC(CN(Cc3ccccc3)Cc3ccccc3)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 3.9352 |
logD: | 3.9054 |
logSw: | -3.9389 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 41.886 |
InChI Key: | YIDASINGKUQHHS-UHFFFAOYSA-N |