methyl 5-{[7-methyl-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-{[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}furan-2-carboxylate
methyl 5-{[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | M786-3321 |
| Compound Name: | methyl 5-{[7-methyl-4,4-dioxo-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazin-1(4H)-yl]methyl}furan-2-carboxylate |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C20 H21 N3 O6 S |
| Smiles: | Cc1ccc2c(c1)N(Cc1ccc(C(=O)OC)o1)N=C(C(N1CCCC1)=O)S2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2956 |
| logD: | 2.2956 |
| logSw: | -2.7397 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.719 |
| InChI Key: | WVOIDLSESFBHFT-UHFFFAOYSA-N |