| CAS Number | 251994-14-6 |
| Catalog Number | AG01EO46(AGN-PC-3H466B) |
| Chemical Name | CAM-IN-1 |
| IUPAC Name | 4-(4-bromophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide |
| InChI | InChI=1S/C15H11BrN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19) |
| InChI Key | OFXAEWYLVPBGGU-UHFFFAOYSA-N |
| MDL Number | MFCD20266330 |
| Molecular Formula | C15H11BrN2O2S |
| Molecular Weight | 363.229 |
| SMILES | C1=NC=C(OC2=CC=C(Br)C=C2)C2C=C(C(NC)=O)SC1=2 |
| Synonyms | CAM-IN-1,
CHEMBL326271,
251994-14-6,
SCHEMBL6438196,
BDBM50105180,
HY-U00003,
CS-7225,
4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carboxylic acid methylamide,
CID10361323,
2-(4-bromophenoxy)-N-methyl-7-thia-4-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-carboxamide,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.229g/mol |
| Monoisotopic Mass | 361.972g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number