[3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile
Chemical Structure Depiction of
[3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile
[3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile
Compound characteristics
| Compound ID: | M786-3439 |
| Compound Name: | [3-(azepane-1-carbonyl)-7-methyl-4,4-dioxo-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]acetonitrile |
| Molecular Weight: | 360.43 |
| Molecular Formula: | C17 H20 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)N(CC#N)N=C(C(N1CCCCCC1)=O)S2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7465 |
| logD: | 1.7465 |
| logSw: | -2.5797 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.41 |
| InChI Key: | ROCOSUKCVZJEPV-UHFFFAOYSA-N |