[Synonyms]
ASN 04371497
[Structure]
![ASN 04371497 N-(2,4-dimethoxyphenyl)-2-[(8-methoxy-4-methyl-[1,2,4]tri](/file/upload/dataimg/118/1172046.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,
5-a]quinolin-1-yl)sulfanyl]acetamide
Canonical SMILES: CC1=CC2=C(C=C(C=C2)OC)N3C1=NN=C3SCC(=O)NC4=C(C=C(C=C4)OC)OC
InChI: InChI=1/C22H22N4O4S/c1-13-9-14-5-6-15(28-2)10-18(14)26-21(13)24-25-22
(26)31-12-20(27)23-17-8-7-16(29-3)11-19(17)30-4/h5-11H,12H2,1-4H3,(H,23,
27)/f/h23H
ASN 04371497
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 438.49948 [g/mol] |
| Molecular Formula | C22H22N4O4S |
| XLogP | 3.2 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 7 |
| Rotatable Bond Count | 7 |
| Tautomer Count | 2 |
| Exact Mass | 438.136176 |
| MonoIsotopic Mass | 438.136176 |
| Topological Polar Surface Area | 87 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 614 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,
5-a]quinolin-1-yl)sulfanyl]acetamide
Canonical SMILES: CC1=CC2=C(C=C(C=C2)OC)N3C1=NN=C3SCC(=O)NC4=C(C=C(C=C4)OC)OC
InChI: InChI=1/C22H22N4O4S/c1-13-9-14-5-6-15(28-2)10-18(14)26-21(13)24-25-22
(26)31-12-20(27)23-17-8-7-16(29-3)11-19(17)30-4/h5-11H,12H2,1-4H3,(H,23,
27)/f/h23H
