7-({benzyl[(4-methoxyphenyl)methyl]amino}methyl)-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({benzyl[(4-methoxyphenyl)methyl]amino}methyl)-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({benzyl[(4-methoxyphenyl)methyl]amino}methyl)-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-2444 |
| Compound Name: | 7-({benzyl[(4-methoxyphenyl)methyl]amino}methyl)-2-butyl-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(Cc3ccccc3)Cc3ccc(cc3)OC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.8939 |
| logD: | 4.8773 |
| logSw: | -4.5908 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.43 |
| InChI Key: | MJXXYIRJWXYXHP-UHFFFAOYSA-N |