| CAS Number | 1679330-18-7 |
| Catalog Number | AG019ERT(AGN-PC-0WG4CM) |
| Chemical Name | (E)-3-(Dimethylamino)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-3-yl)prop-2-en-1-one |
| IUPAC Name | (E)-1-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one |
| InChI | InChI=1S/C18H17N3O3S/c1-20(2)11-9-18(22)16-13-21(17-12-19-10-8-15(16)17)25(23,24)14-6-4-3-5-7-14/h3-13H,1-2H3/b11-9+ |
| InChI Key | HAMARJLNHWBALT-PKNBQFBNSA-N |
| MDL Number | MFCD30185798 |
| Molecular Formula | C18H17N3O3S |
| Molecular Weight | 355.4109 |
| SMILES | O=C(C1=CN(S(=O)(C2=CC=CC=C2)=O)C3=C1C=CN=C3)/C=C/N(C)C |
| Synonyms | (E)-3-(Dimethylamino)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-3-yl)prop-2-en-1-one,
1679330-18-7,
MFCD30185798,
ZINC498045229,
CS-0036193,
|
| Complexity | 606 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 355.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.412g/mol |
| Monoisotopic Mass | 355.099g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number