methyl 1,1-dioxo-2-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Chemical Structure Depiction of
methyl 1,1-dioxo-2-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
methyl 1,1-dioxo-2-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate
Compound characteristics
| Compound ID: | F419-0013 |
| Compound Name: | methyl 1,1-dioxo-2-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-4-phenyl-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxylate |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C27 H26 N2 O5 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CN1C(=C(c2ccccc2)c2ccccc2S1(=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5152 |
| logD: | 5.5152 |
| logSw: | -5.545 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.724 |
| InChI Key: | MTCQDNBKRIQAHH-UHFFFAOYSA-N |