[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3,4,5-trimethoxybenzoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | G265-0230 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C20 H23 N3 O6 S |
| Smiles: | CC(C)CC1=NN2C(=NC(COC(c3cc(c(c(c3)OC)OC)OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.1777 |
| logD: | 3.1752 |
| logSw: | -3.4042 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.281 |
| InChI Key: | LCNZQKACLWBNOI-UHFFFAOYSA-N |