N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-methylbenzamide
Chemical Structure Depiction of
N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-methylbenzamide
N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-methylbenzamide
Compound characteristics
| Compound ID: | F527-0536 |
| Compound Name: | N-{[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-2-methylbenzamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1ccccc1C(NCC1=CC(N2C(=N1)SC(c1ccc(cc1)OC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2991 |
| logD: | 3.2984 |
| logSw: | -3.7158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.228 |
| InChI Key: | PCHIUBVDUNGFPH-UHFFFAOYSA-N |