4-{5-[(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]furan-2-yl}benzene-1-sulfonamide--acetic acid (1/1)
Chemical Structure Depiction of
4-{5-[(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]furan-2-yl}benzene-1-sulfonamide--acetic acid (1/1)
4-{5-[(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]furan-2-yl}benzene-1-sulfonamide--acetic acid (1/1)
Compound characteristics
| Compound ID: | 5629-1044 |
| Compound Name: | 4-{5-[(3,7-dioxo-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]furan-2-yl}benzene-1-sulfonamide--acetic acid (1/1) |
| Molecular Weight: | 538.56 |
| Molecular Formula: | C22 H14 N4 O5 S2 |
| Salt: | CH3COOH |
| Smiles: | C(=C1/C(N2C(=NC(C(c3ccccc3)=N2)=O)S1)=O)\c1ccc(c2ccc(cc2)S(N)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.6529 |
| logD: | 2.6521 |
| logSw: | -3.2674 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.821 |
| InChI Key: | UWICGVZTTPKBGB-PDGQHHTCSA-N |