(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbutanamido)benzoate
Chemical Structure Depiction of
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbutanamido)benzoate
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbutanamido)benzoate
Compound characteristics
| Compound ID: | G357-3502 |
| Compound Name: | (5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbutanamido)benzoate |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Smiles: | CCCC1=NN2C(=NC(COC(c3ccc(cc3)NC(CC(C)C)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.0667 |
| logD: | 4.0624 |
| logSw: | -4.1501 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.453 |
| InChI Key: | KTXXYFRRVLYFJN-UHFFFAOYSA-N |