[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-benzamidobenzoate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-benzamidobenzoate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-benzamidobenzoate
Compound characteristics
Compound ID: | G357-0251 |
Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-benzamidobenzoate |
Molecular Weight: | 448.5 |
Molecular Formula: | C23 H20 N4 O4 S |
Smiles: | CC(C)C1=NN2C(=NC(COC(c3ccc(cc3)NC(c3ccccc3)=O)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 4.0808 |
logD: | 4.0692 |
logSw: | -4.2621 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.491 |
InChI Key: | ZHLBSHXOWFHQLC-UHFFFAOYSA-N |