ethyl 4-{[3-methyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[3-methyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carbonyl]amino}benzoate
ethyl 4-{[3-methyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J049-2161 |
| Compound Name: | ethyl 4-{[3-methyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carbonyl]amino}benzoate |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(c1ccc2c(c1)S(N=C(C)N2CC(C)C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0781 |
| logD: | 4.0617 |
| logSw: | -4.1274 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.444 |
| InChI Key: | RTGNZLZAZTZHQF-UHFFFAOYSA-N |