methyl 3-{[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-{[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzoate
methyl 3-{[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | K261-2961 |
| Compound Name: | methyl 3-{[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C24 H22 N2 O5 S2 |
| Smiles: | COC(c1ccc(c(CSC2=NS(c3ccccc3N2Cc2ccccc2)(=O)=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.025 |
| logD: | 5.025 |
| logSw: | -4.7072 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.518 |
| InChI Key: | GDJNSNIEYFHOCI-UHFFFAOYSA-N |