N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-3,4,5-trimethoxybenzamide
N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | F527-0747 |
| Compound Name: | N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 486.93 |
| Molecular Formula: | C22 H19 Cl N4 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCC1=CC(N2C(=N1)SC(c1cccc(c1)[Cl])=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2178 |
| logD: | 3.2173 |
| logSw: | -3.7545 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.662 |
| InChI Key: | PGYATRAACDKZJY-UHFFFAOYSA-N |