(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbutanamido)benzoate
Chemical Structure Depiction of
(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbutanamido)benzoate
(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbutanamido)benzoate
Compound characteristics
| Compound ID: | G357-0514 |
| Compound Name: | (2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbutanamido)benzoate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | CCC1=NN2C(=NC(COC(c3ccc(cc3)NC(CC(C)C)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5298 |
| logD: | 3.523 |
| logSw: | -3.7625 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.453 |
| InChI Key: | PFTHJDLDPMEFHR-UHFFFAOYSA-N |