4-(4-bromo-3-methylphenyl)-6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
4-(4-bromo-3-methylphenyl)-6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
4-(4-bromo-3-methylphenyl)-6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
| Compound ID: | L807-0577 |
| Compound Name: | 4-(4-bromo-3-methylphenyl)-6-methyl-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
| Molecular Weight: | 389.27 |
| Molecular Formula: | C17 H13 Br N2 O2 S |
| Smiles: | Cc1ccc2c(c1)N(C=C(C#N)S2(=O)=O)c1ccc(c(C)c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8243 |
| logD: | 3.8243 |
| logSw: | -3.9964 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.007 |
| InChI Key: | XUVXWQKISBFGJT-UHFFFAOYSA-N |