7-({benzyl[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({benzyl[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({benzyl[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-3103 |
| Compound Name: | 7-({benzyl[(3,4-dimethoxyphenyl)methyl]amino}methyl)-2-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CC1=NN2C(=NC(CN(Cc3ccccc3)Cc3ccc(c(c3)OC)OC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1369 |
| logD: | 2.8166 |
| logSw: | -3.2629 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.417 |
| InChI Key: | KNJDKNSCPDEPOJ-UHFFFAOYSA-N |