methyl 4-{2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K261-2973 |
| Compound Name: | methyl 4-{2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C24 H21 N3 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSC1=NS(c2ccccc2N1Cc1ccccc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3029 |
| logD: | 4.3028 |
| logSw: | -4.273 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.036 |
| InChI Key: | RRCXCLMLUQUDTB-UHFFFAOYSA-N |