4-[8-acetyl-9-(4-chlorophenyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]-N-(pyrimidin-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-[8-acetyl-9-(4-chlorophenyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]-N-(pyrimidin-2-yl)benzene-1-sulfonamide
4-[8-acetyl-9-(4-chlorophenyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]-N-(pyrimidin-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8017-0107 |
| Compound Name: | 4-[8-acetyl-9-(4-chlorophenyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]-N-(pyrimidin-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 604.07 |
| Molecular Formula: | C27 H18 Cl N7 O4 S2 |
| Smiles: | CC(c1c(c2ccc(cc2)[Cl])c2c3c(C(N(c4ccc(cc4)S(Nc4ncccn4)(=O)=O)N=N3)=O)sc2nc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5139 |
| logD: | 3.7587 |
| logSw: | -5.1464 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.333 |
| InChI Key: | VCYPWFRQNNMZDE-UHFFFAOYSA-N |