7-{[ethyl(phenyl)amino]methyl}-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-{[ethyl(phenyl)amino]methyl}-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-{[ethyl(phenyl)amino]methyl}-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G072-0270 |
| Compound Name: | 7-{[ethyl(phenyl)amino]methyl}-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C19 H24 N4 O S |
| Smiles: | CCC(CC)C1=NN2C(=NC(CN(CC)c3ccccc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4745 |
| logD: | 4.4655 |
| logSw: | -4.2489 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.282 |
| InChI Key: | DAQLVXWNJPNNHB-UHFFFAOYSA-N |