[3-(5-Phenyl-2H-tetraazol-2-yl)-1-adamantyl]acetic acid - CAS 438221-39-7
Catalog: |
BB045216 |
Product Name: |
[3-(5-Phenyl-2H-tetraazol-2-yl)-1-adamantyl]acetic acid |
CAS: |
438221-39-7 |
Synonyms: |
2-[3-(5-phenyl-1,2,3,4-tetraazol-2-yl)adamantanyl]acetic acid |
IUPAC Name: | 2-[3-(5-phenyltetrazol-2-yl)-1-adamantyl]acetic acid |
Description: | [3-(5-Phenyl-2H-tetraazol-2-yl)-1-adamantyl]acetic acid (CAS# 438221-39-7 ) is a useful research chemical. |
Molecular Weight: | 338.40 |
Molecular Formula: | C19H22N4O2 |
Canonical SMILES: | C1C2CC3(CC1CC(C2)(C3)N4N=C(N=N4)C5=CC=CC=C5)CC(=O)O |
InChI: | InChI=1S/C19H22N4O2/c24-16(25)11-18-7-13-6-14(8-18)10-19(9-13,12-18)23-21-17(20-22-23)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H,24,25) |
InChI Key: | YCPNBGBGMZIDEC-UHFFFAOYSA-N |
Complexity: | 534 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 338.17427596 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 338.17427596 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.9 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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