ethyl 4-[(3-methyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(3-methyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carbonyl)amino]benzoate
ethyl 4-[(3-methyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | J049-0921 |
| Compound Name: | ethyl 4-[(3-methyl-1,1-dioxo-4-propyl-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carbonyl)amino]benzoate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | CCCN1C(C)=NS(c2cc(ccc12)C(Nc1ccc(cc1)C(=O)OCC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6262 |
| logD: | 3.6097 |
| logSw: | -3.902 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.423 |
| InChI Key: | RJOGEOIJTWAPBV-UHFFFAOYSA-N |