[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-[(thiophene-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-[(thiophene-2-carbonyl)amino]benzoate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-[(thiophene-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G357-0255 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-[(thiophene-2-carbonyl)amino]benzoate |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C21 H18 N4 O4 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(COC(c3ccc(cc3)NC(c3cccs3)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.0985 |
| logD: | 4.0897 |
| logSw: | -4.2464 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.509 |
| InChI Key: | AVQBSWONFAKTCL-UHFFFAOYSA-N |