(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[2-(phenylsulfanyl)acetamido]benzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[2-(phenylsulfanyl)acetamido]benzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[2-(phenylsulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | G357-0038 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[2-(phenylsulfanyl)acetamido]benzoate |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C22 H18 N4 O4 S2 |
| Smiles: | CC1=NN2C(=NC(COC(c3ccc(cc3)NC(CSc3ccccc3)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.6614 |
| logD: | 3.6562 |
| logSw: | -3.9983 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.451 |
| InChI Key: | IZZCEPSOZXUCLF-UHFFFAOYSA-N |