7-{[benzyl(2-methylpropyl)amino]methyl}-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[benzyl(2-methylpropyl)amino]methyl}-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[benzyl(2-methylpropyl)amino]methyl}-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G768-1951 |
| Compound Name: | 7-{[benzyl(2-methylpropyl)amino]methyl}-2-butyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 384.54 |
| Molecular Formula: | C21 H28 N4 O S |
| Smiles: | CCCCC1=NN2C(=NC(CN(CC(C)C)Cc3ccccc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.6927 |
| logD: | 4.3761 |
| logSw: | -4.3498 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.158 |
| InChI Key: | BWPCLZIGOBFJDR-UHFFFAOYSA-N |