3-(2-Chloro-4-pyrimidinyl)-1-(phenylsulfonyl)indole - CAS 882562-58-5
Catalog: |
BB038800 |
Product Name: |
3-(2-Chloro-4-pyrimidinyl)-1-(phenylsulfonyl)indole |
CAS: |
882562-58-5 |
Synonyms: |
1-(benzenesulfonyl)-3-(2-chloro-4-pyrimidinyl)indole; 1-(benzenesulfonyl)-3-(2-chloropyrimidin-4-yl)indole |
IUPAC Name: | 1-(benzenesulfonyl)-3-(2-chloropyrimidin-4-yl)indole |
Description: | 3-(2-Chloro-4-pyrimidinyl)-1-(phenylsulfonyl)indole (CAS# 882562-58-5 ) is a useful research chemical. |
Molecular Weight: | 369.82 |
Molecular Formula: | C18H12ClN3O2S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=NC(=NC=C4)Cl |
InChI: | InChI=1S/C18H12ClN3O2S/c19-18-20-11-10-16(21-18)15-12-22(17-9-5-4-8-14(15)17)25(23,24)13-6-2-1-3-7-13/h1-12H |
InChI Key: | QSZOBLWYXPYDDW-UHFFFAOYSA-N |
LogP: | 5.06950 |
Publication Number | Title | Priority Date |
CN-106458990-A | Inhibitors of cyclin-dependent kinase 7 (CDK7) | 20140404 |
CN-106458990-B | The inhibitor of cell cycle protein dependent kinase 7 (CDK7) | 20140404 |
CN-110229142-A | The inhibitor of cell cycle protein dependent kinase 7 (CDK7) | 20140404 |
AU-2007328981-A1 | Substituted pyrimidines and their use as JNK modulators | 20061208 |
AU-2007328981-B2 | Substituted pyrimidines and their use as JNK modulators | 20061208 |
Complexity: | 561 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 369.0338755 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 369.0338755 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 73.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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