methyl 3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzoate
methyl 3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | K261-2503 |
| Compound Name: | methyl 3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C21 H24 N2 O5 S2 |
| Smiles: | CCCCN1C(=NS(c2ccccc12)(=O)=O)SCc1cc(ccc1OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6865 |
| logD: | 4.6865 |
| logSw: | -4.3539 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.768 |
| InChI Key: | BHWMKZHYAZZESW-UHFFFAOYSA-N |