3-{[6-chloro-3-(morpholine-4-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[6-chloro-3-(morpholine-4-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
3-{[6-chloro-3-(morpholine-4-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | M786-4536 |
| Compound Name: | 3-{[6-chloro-3-(morpholine-4-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C20 H17 Cl N4 O4 S |
| Smiles: | C1COCCN1C(C1=NN(Cc2cccc(C#N)c2)c2ccc(cc2S1(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7172 |
| logD: | 1.7172 |
| logSw: | -2.755 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 85.302 |
| InChI Key: | IAFROPAKPVIMTK-UHFFFAOYSA-N |