3-{[3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
3-{[3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | M786-3445 |
| Compound Name: | 3-{[3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}benzonitrile |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)N(Cc1cccc(C#N)c1)N=C(C(N1CCCCCC1)=O)S2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3008 |
| logD: | 3.3008 |
| logSw: | -3.6308 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.725 |
| InChI Key: | RADHUYDTQSUDPN-UHFFFAOYSA-N |