4-(4-methoxy-2-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
4-(4-methoxy-2-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
4-(4-methoxy-2-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
| Compound ID: | L807-0034 |
| Compound Name: | 4-(4-methoxy-2-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C17 H14 N2 O3 S |
| Smiles: | Cc1cc(ccc1N1C=C(C#N)S(c2ccccc12)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5655 |
| logD: | 2.5655 |
| logSw: | -2.7954 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.25 |
| InChI Key: | NBCTYOZTGGCKGD-UHFFFAOYSA-N |