2-butyl-7-({[(4-methoxyphenyl)methyl](4-methylphenyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-butyl-7-({[(4-methoxyphenyl)methyl](4-methylphenyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-butyl-7-({[(4-methoxyphenyl)methyl](4-methylphenyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-3285 |
| Compound Name: | 2-butyl-7-({[(4-methoxyphenyl)methyl](4-methylphenyl)amino}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | CCCCC1=NN2C(=NC(CN(Cc3ccc(cc3)OC)c3ccc(C)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.654 |
| logD: | 5.6514 |
| logSw: | -5.2326 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.733 |
| InChI Key: | DXPPSQUKIIYVHW-UHFFFAOYSA-N |