1-[6-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]ethan-1-one
1-[6-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | F053-0546 |
| Compound Name: | 1-[6-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]ethan-1-one |
| Molecular Weight: | 414.54 |
| Molecular Formula: | C21 H22 N2 O3 S2 |
| Smiles: | CC(N1CCSc2ccc(cc12)S(N1CCC(=CC1)c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.764 |
| logD: | 3.764 |
| logSw: | -3.9673 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.73 |
| InChI Key: | KCCUIGBBGKHJCL-UHFFFAOYSA-N |