methyl 4-(2-cyano-6-methyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2-cyano-6-methyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate
methyl 4-(2-cyano-6-methyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate
Compound characteristics
| Compound ID: | L807-0531 |
| Compound Name: | methyl 4-(2-cyano-6-methyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl)benzoate |
| Molecular Weight: | 354.38 |
| Molecular Formula: | C18 H14 N2 O4 S |
| Smiles: | Cc1ccc2c(c1)N(C=C(C#N)S2(=O)=O)c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5802 |
| logD: | 2.5802 |
| logSw: | -2.8954 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.18 |
| InChI Key: | XRWZGZRCLJTSSW-UHFFFAOYSA-N |