N-[4-(Acetylamino)phenyl]-2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]acetamide - CAS 872695-47-1
Catalog: |
BB075299 |
Product Name: |
N-[4-(Acetylamino)phenyl]-2-[[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]thio]acetamide |
CAS: |
872695-47-1 |
Synonyms: |
2-{[6-(2H-1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl}-N-(4-acetamidophenyl)acetamide; N-(4-acetamidophenyl)-2-((6-(benzo[d][1,3]dioxol-5-yl)pyridazin-3-yl)thio)acetamide |
IUPAC Name: | N-(4-acetamidophenyl)-2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanylacetamide |
Molecular Weight: | 422.46 |
Molecular Formula: | C21H18N4O4S |
Canonical SMILES: | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4 |
InChI: | InChI=1S/C21H18N4O4S/c1-13(26)22-15-3-5-16(6-4-15)23-20(27)11-30-21-9-7-17(24-25-21)14-2-8-18-19(10-14)29-12-28-18/h2-10H,11-12H2,1H3,(H,22,26)(H,23,27) |
InChI Key: | GCSMEZOMADDJCX-UHFFFAOYSA-N |
Complexity: | 602 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 422.10487624 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 422.10487624 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 128Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
-
[163702-08-7]
Methyl perfluoroisobutyl ether
-
[6315-52-2]
Ethylene di(p-toluenesulfonate)
-
[891016-02-7]
ML-SI3
-
[730-46-1]
5-Dodecyldihydro-2(3H)-Furanone
-
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
-
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
INDUSTRY LEADERS TRUST OUR PRODUCTS