N-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]-1,3-dioxo-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]-1,3-dioxo-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide
N-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]-1,3-dioxo-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K783-6103 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]-1,3-dioxo-1,2,3,4-tetrahydro-1lambda~4~,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 456.92 |
| Molecular Formula: | C23 H18 Cl F N2 O3 S |
| Smiles: | C(c1ccc(cc1)[Cl])NC(c1ccc2c(c1)N(Cc1cccc(c1)F)C(CS2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6403 |
| logD: | 3.6403 |
| logSw: | -4.3124 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.189 |
| InChI Key: | KQSJJUJYEIGDGN-UHFFFAOYSA-N |