[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-methylbenzoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-methylbenzoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-methylbenzoate
Compound characteristics
| Compound ID: | G265-0193 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-methylbenzoate |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C18 H19 N3 O3 S |
| Smiles: | CC(C)CC1=NN2C(=NC(COC(c3ccc(C)cc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.1697 |
| logD: | 4.1672 |
| logSw: | -4.2305 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.304 |
| InChI Key: | PAXDXRZUNOBJKU-UHFFFAOYSA-N |