1-[(3-chlorophenyl)methyl]-7-methyl-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-7-methyl-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
1-[(3-chlorophenyl)methyl]-7-methyl-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione
Compound characteristics
| Compound ID: | M786-3311 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-7-methyl-3-(pyrrolidine-1-carbonyl)-4lambda~6~,1,2-benzothiadiazine-4,4(1H)-dione |
| Molecular Weight: | 417.91 |
| Molecular Formula: | C20 H20 Cl N3 O3 S |
| Smiles: | Cc1ccc2c(c1)N(Cc1cccc(c1)[Cl])N=C(C(N1CCCC1)=O)S2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5986 |
| logD: | 3.5986 |
| logSw: | -3.7662 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.704 |
| InChI Key: | LRAOFYDKXCTLJR-UHFFFAOYSA-N |