7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-3546 |
| Compound Name: | 7-({benzyl[(4-ethoxyphenyl)methyl]amino}methyl)-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C26 H30 N4 O2 S |
| Smiles: | CCCCC1=NN2C(=NC(CN(Cc3ccccc3)Cc3ccc(cc3)OCC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.2805 |
| logD: | 5.2638 |
| logSw: | -5.0335 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.01 |
| InChI Key: | BVHRRAPBHDFPNS-UHFFFAOYSA-N |