3-Amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole - CAS 147009-17-4
Catalog: |
BB075269 |
Product Name: |
3-Amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole |
CAS: |
147009-17-4 |
Synonyms: |
(±)-N-Demethylfrovatriptan; 3-Amino-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide |
IUPAC Name: | 6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide |
Molecular Weight: | 229.28 |
Molecular Formula: | C13H15N3O |
Canonical SMILES: | C1CC2=C(CC1N)C3=C(N2)C=CC(=C3)C(=O)N |
InChI: | InChI=1S/C13H15N3O/c14-8-2-4-12-10(6-8)9-5-7(13(15)17)1-3-11(9)16-12/h1,3,5,8,16H,2,4,6,14H2,(H2,15,17) |
InChI Key: | PMQBOSGFSARWCB-UHFFFAOYSA-N |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.12151211 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.12151211 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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