N-[(4-chlorophenyl)methyl]-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
N-[(4-chlorophenyl)methyl]-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | P580-0891 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-(2,7-dimethyl-5-oxopyrrolo[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin-6(5H)-yl)acetamide |
| Molecular Weight: | 401.87 |
| Molecular Formula: | C18 H16 Cl N5 O2 S |
| Smiles: | CC1=NN2C(=Nc3cc(C)n(CC(NCc4ccc(cc4)[Cl])=O)c3C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.69 |
| logD: | 2.6896 |
| logSw: | -3.5648 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.009 |
| InChI Key: | MFMCCFJNURGYCB-UHFFFAOYSA-N |