4-butyl-N-(3-chloro-4-methoxyphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
Chemical Structure Depiction of
4-butyl-N-(3-chloro-4-methoxyphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
4-butyl-N-(3-chloro-4-methoxyphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | J049-1563 |
| Compound Name: | 4-butyl-N-(3-chloro-4-methoxyphenyl)-3-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazine-7-carboxamide |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C20 H22 Cl N3 O4 S |
| Smiles: | CCCCN1C(C)=NS(c2cc(ccc12)C(Nc1ccc(c(c1)[Cl])OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0096 |
| logD: | 3.9582 |
| logSw: | -4.5608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.299 |
| InChI Key: | VMMNXCNHFMLYGT-UHFFFAOYSA-N |