3-{[7-methyl-3-(morpholine-4-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[7-methyl-3-(morpholine-4-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
3-{[7-methyl-3-(morpholine-4-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | M786-3487 |
| Compound Name: | 3-{[7-methyl-3-(morpholine-4-carbonyl)-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | Cc1ccc2c(c1)N(Cc1cccc(C#N)c1)N=C(C(N1CCOCC1)=O)S2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6462 |
| logD: | 1.6462 |
| logSw: | -2.301 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 85.302 |
| InChI Key: | KTGUYKRBZOFIMO-UHFFFAOYSA-N |