2-butyl-7-({[(4-ethoxyphenyl)methyl](ethyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-butyl-7-({[(4-ethoxyphenyl)methyl](ethyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-butyl-7-({[(4-ethoxyphenyl)methyl](ethyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-3430 |
| Compound Name: | 2-butyl-7-({[(4-ethoxyphenyl)methyl](ethyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C21 H28 N4 O2 S |
| Smiles: | CCCCC1=NN2C(=NC(CN(CC)Cc3ccc(cc3)OCC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1762 |
| logD: | 3.9887 |
| logSw: | -3.9955 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.006 |
| InChI Key: | XMGDZXHYYZCRDY-UHFFFAOYSA-N |