| CAS Number | 1420800-45-8 |
| Catalog Number | AG009WRY(AGN-PC-0WAE70) |
| Chemical Name | N-(1H-Indol-3-ylmethyl)-1H-indole-3-carboxamide |
| IUPAC Name | N-(1H-indol-3-ylmethyl)-1H-indole-3-carboxamide |
| InChI | InChI=1S/C18H15N3O/c22-18(15-11-20-17-8-4-2-6-14(15)17)21-10-12-9-19-16-7-3-1-5-13(12)16/h1-9,11,19-20H,10H2,(H,21,22) |
| InChI Key | GVFJQHBQTYATMA-UHFFFAOYSA-N |
| MDL Number | MFCD22689101 |
| Molecular Formula | C18H15N3O |
| Molecular Weight | 289.3312 |
| SMILES | O=C(c1c[nH]c2c1cccc2)NCc1c[nH]c2c1cccc2 |
| Synonyms | N-(1H-Indol-3-ylmethyl)-1H-indole-3-carboxamide,
1420800-45-8,
ZINC95217992,
V3166,
C18H15N3O,
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| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.338g/mol |
| Monoisotopic Mass | 289.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number