methyl 4-{[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 4-{[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]carbamamido}benzoate
methyl 4-{[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | F524-0032 |
| Compound Name: | methyl 4-{[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]carbamamido}benzoate |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(NCC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9869 |
| logD: | 2.986 |
| logSw: | -3.609 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.07 |
| InChI Key: | GATRIPSIZMZQNI-UHFFFAOYSA-N |