4-(4-butylphenyl)-6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
4-(4-butylphenyl)-6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
4-(4-butylphenyl)-6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
| Compound ID: | L807-0505 |
| Compound Name: | 4-(4-butylphenyl)-6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
| Molecular Weight: | 352.45 |
| Molecular Formula: | C20 H20 N2 O2 S |
| Smiles: | CCCCc1ccc(cc1)N1C=C(C#N)S(c2ccc(C)cc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4587 |
| logD: | 4.4587 |
| logSw: | -4.4076 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.007 |
| InChI Key: | XWTOTKTYHDQGBY-UHFFFAOYSA-N |