[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(3-methylbutanamido)benzoate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(3-methylbutanamido)benzoate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(3-methylbutanamido)benzoate
Compound characteristics
| Compound ID: | G357-0348 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-(3-methylbutanamido)benzoate |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Smiles: | CC(C)CC(Nc1cccc(c1)C(=O)OCC1=CC(N2C(=N1)SC(C(C)C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1647 |
| logD: | 4.1564 |
| logSw: | -4.3199 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.549 |
| InChI Key: | KSIUUFNKMGGKEW-UHFFFAOYSA-N |