methyl 2-{[3-methyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-methyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carbonyl]amino}benzoate
methyl 2-{[3-methyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | J049-2160 |
| Compound Name: | methyl 2-{[3-methyl-4-(2-methylpropyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carbonyl]amino}benzoate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | CC(C)CN1C(C)=NS(c2cc(ccc12)C(Nc1ccccc1C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3995 |
| logD: | 2.5328 |
| logSw: | -3.9112 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.167 |
| InChI Key: | LXCOGWIQEMUGLN-UHFFFAOYSA-N |