methyl 5-{[4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}furan-2-carboxylate
methyl 5-{[4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | M786-2952 |
| Compound Name: | methyl 5-{[4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}furan-2-carboxylate |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C19 H19 N3 O6 S |
| Smiles: | COC(c1ccc(CN2c3ccccc3S(C(C(N3CCCC3)=O)=N2)(=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6786 |
| logD: | 1.6786 |
| logSw: | -2.2864 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.719 |
| InChI Key: | OROCDWXGFIEJJQ-UHFFFAOYSA-N |