methyl 2-{[2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
methyl 2-{[2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E135-1105 |
| Compound Name: | methyl 2-{[2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C17 H15 N3 O5 S2 |
| Smiles: | CN1C(=CC(c2cccs2)=NS1(=O)=O)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.585 |
| logD: | -0.6259 |
| logSw: | -3.4234 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.813 |
| InChI Key: | XITXKGHDYXDVBX-UHFFFAOYSA-N |