[Synonyms]
ZINC00880969
ASN 03430958
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,
4-triazol-3-yl]sulfanyl]-N-(5-propan-2-yl-1,3,
4-thiadiazol-2-yl)acetamide
Canonical SMILES: CC(C)C1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC
InChI: InChI=1/C17H20N6O2S2/c1-10(2)15-20-21-16(27-15)18-13(24)9-26-17-22-19-14
(23(17)3)11-5-7-12(25-4)8-6-11/h5-8,10H,9H2,1-4H3,(H,18,21,24)/f/h18H
ZINC00880969
ASN 03430958
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 404.5097 [g/mol] |
| Molecular Formula | C17H20N6O2S2 |
| XLogP | 4.5 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 7 |
| Rotatable Bond Count | 7 |
| Tautomer Count | 3 |
| Exact Mass | 404.108915 |
| MonoIsotopic Mass | 404.108915 |
| Topological Polar Surface Area | 94.8 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 492 |
| 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: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,
4-triazol-3-yl]sulfanyl]-N-(5-propan-2-yl-1,3,
4-thiadiazol-2-yl)acetamide
Canonical SMILES: CC(C)C1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)OC
InChI: InChI=1/C17H20N6O2S2/c1-10(2)15-20-21-16(27-15)18-13(24)9-26-17-22-19-14
(23(17)3)11-5-7-12(25-4)8-6-11/h5-8,10H,9H2,1-4H3,(H,18,21,24)/f/h18H
