[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl (phenylsulfanyl)acetate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl (phenylsulfanyl)acetate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl (phenylsulfanyl)acetate
Compound characteristics
| Compound ID: | G265-0218 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl (phenylsulfanyl)acetate |
| Molecular Weight: | 389.49 |
| Molecular Formula: | C18 H19 N3 O3 S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(COC(CSc3ccccc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.684 |
| logD: | 3.6815 |
| logSw: | -4.0721 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.708 |
| InChI Key: | NQSRHHOCICHOSS-UHFFFAOYSA-N |