methyl 2-{[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
methyl 2-{[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E135-1000 |
| Compound Name: | methyl 2-{[5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 389.38 |
| Molecular Formula: | C17 H15 N3 O6 S |
| Smiles: | CN1C(=CC(c2ccco2)=NS1(=O)=O)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8471 |
| logD: | -1.3637 |
| logSw: | -2.5957 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.373 |
| InChI Key: | YRLZNYBRWLZKNP-UHFFFAOYSA-N |