N-[2-(4-chlorophenyl)ethyl]-1-methyl-2,3,5-trioxo-1,3,4,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyrazine-9-sulfonamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-1-methyl-2,3,5-trioxo-1,3,4,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyrazine-9-sulfonamide
N-[2-(4-chlorophenyl)ethyl]-1-methyl-2,3,5-trioxo-1,3,4,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyrazine-9-sulfonamide
Compound characteristics
| Compound ID: | C301-5996 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-1-methyl-2,3,5-trioxo-1,3,4,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyrazine-9-sulfonamide |
| Molecular Weight: | 461.88 |
| Molecular Formula: | C20 H16 Cl N3 O6 S |
| Smiles: | CN1C2=C(C(=O)Oc3ccc(cc23)S(NCCc2ccc(cc2)[Cl])(=O)=O)NC(C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8543 |
| logD: | 0.5496 |
| logSw: | -3.2833 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.028 |
| InChI Key: | ZHJKYMAPOOMPJY-UHFFFAOYSA-N |