N-(4-methyl-2-{4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-methyl-2-{4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonyl}phenyl)acetamide
N-(4-methyl-2-{4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonyl}phenyl)acetamide
Compound characteristics
| Compound ID: | F570-0013 |
| Compound Name: | N-(4-methyl-2-{4-[(5-oxo-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-sulfonyl}phenyl)acetamide |
| Molecular Weight: | 538.65 |
| Molecular Formula: | C25 H26 N6 O4 S2 |
| Smiles: | CC(Nc1ccc(C)cc1S(N1CCN(CC1)CC1=CC(N2C(=N1)SC(c1ccccc1)=N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7006 |
| logD: | 1.6989 |
| logSw: | -2.6714 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.086 |
| InChI Key: | MIJLSPBCKBLAJD-UHFFFAOYSA-N |