[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-phenylbutanoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-phenylbutanoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-phenylbutanoate
Compound characteristics
| Compound ID: | G265-0244 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-phenylbutanoate |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | CCC(C(=O)OCC1=CC(N2C(=N1)SC(CC(C)C)=N2)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3796 |
| logD: | 4.3771 |
| logSw: | -4.3183 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.304 |
| InChI Key: | YEJRTMHAKQKHFF-MRXNPFEDSA-N |