3-{[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
3-{[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | M786-3300 |
| Compound Name: | 3-{[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)N(Cc1cccc(C#N)c1)N=C(C(N1CCCC1)=O)S2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5176 |
| logD: | 2.5176 |
| logSw: | -2.6855 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.76 |
| InChI Key: | OFQDCRLNQKJJRM-UHFFFAOYSA-N |