N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-3,5-dimethoxybenzamide
N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | F527-0763 |
| Compound Name: | N-{[2-(3-chlorophenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 456.91 |
| Molecular Formula: | C21 H17 Cl N4 O4 S |
| Smiles: | COc1cc(cc(c1)OC)C(NCC1=CC(N2C(=N1)SC(c1cccc(c1)[Cl])=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7025 |
| logD: | 3.702 |
| logSw: | -4.3126 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.772 |
| InChI Key: | PTINLHRRKMEDQU-UHFFFAOYSA-N |