4-butyl-N-(2,5-dimethylphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
Chemical Structure Depiction of
4-butyl-N-(2,5-dimethylphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
4-butyl-N-(2,5-dimethylphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | J049-1532 |
| Compound Name: | 4-butyl-N-(2,5-dimethylphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | CCCCN1C(C)=NS(c2cc(ccc12)C(Nc1cc(C)ccc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7384 |
| logD: | 3.738 |
| logSw: | -3.8094 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.971 |
| InChI Key: | MNIFNDXMGHOFQI-UHFFFAOYSA-N |