N-(3-Cyano-4,5,6,7-tetrahydro-2-benzothienyl)-3-phenylpropanamide - CAS 321945-24-8
Catalog: |
BB021222 |
Product Name: |
N-(3-Cyano-4,5,6,7-tetrahydro-2-benzothienyl)-3-phenylpropanamide |
CAS: |
321945-24-8 |
Synonyms: |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide; N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide |
IUPAC Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide |
Description: | N-(3-Cyano-4,5,6,7-tetrahydro-2-benzothienyl)-3-phenylpropanamide (CAS# 321945-24-8 ) is a useful research chemical. |
Molecular Weight: | 310.41 |
Molecular Formula: | C18H18N2OS |
Canonical SMILES: | C1CCC2=C(C1)C(=C(S2)NC(=O)CCC3=CC=CC=C3)C#N |
InChI: | InChI=1S/C18H18N2OS/c19-12-15-14-8-4-5-9-16(14)22-18(15)20-17(21)11-10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11H2,(H,20,21) |
InChI Key: | JFULSLXRHNJOEO-UHFFFAOYSA-N |
LogP: | 4.14288 |
PMID | Publication Date | Title | Journal |
22365758 | 20120315 | Identification and optimization of small molecule antagonists of vasoactive intestinal peptide receptor-1 (VIPR1) | Bioorganic & medicinal chemistry letters |
Complexity: | 438 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.11398438 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.11398438 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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