4-(4-methoxyphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
4-(4-methoxyphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
4-(4-methoxyphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
Compound ID: | L807-0019 |
Compound Name: | 4-(4-methoxyphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
Molecular Weight: | 312.34 |
Molecular Formula: | C16 H12 N2 O3 S |
Smiles: | COc1ccc(cc1)N1C=C(C#N)S(c2ccccc12)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.8549 |
logD: | 1.8549 |
logSw: | -2.1799 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 55.55 |
InChI Key: | QBOOSNQMUDNCLN-UHFFFAOYSA-N |