[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(4-methoxybenzamido)benzoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(4-methoxybenzamido)benzoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(4-methoxybenzamido)benzoate
Compound characteristics
| Compound ID: | G357-0798 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(4-methoxybenzamido)benzoate |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C25 H24 N4 O5 S |
| Smiles: | CC(C)CC1=NN2C(=NC(COC(c3ccc(cc3)NC(c3ccc(cc3)OC)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5598 |
| logD: | 4.5556 |
| logSw: | -4.4029 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.938 |
| InChI Key: | NIPPMNGGLCPIFN-UHFFFAOYSA-N |