| CAS Number | 1030123-90-0 |
| Catalog Number | AG01C16A(AGN-PC-0WP21E) |
| Chemical Name | 1-(2H-1,3-benzodioxol-5-yl)-N-[5-(4-fluorophenyl)-1H,4H-thieno[2,3-d]pyrimidin-4-ylidene]methanamine |
| IUPAC Name | N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine |
| InChI | InChI=1S/C20H14FN3O2S/c21-14-4-2-13(3-5-14)15-9-27-20-18(15)19(23-10-24-20)22-8-12-1-6-16-17(7-12)26-11-25-16/h1-7,9-10H,8,11H2,(H,22,23,24) |
| InChI Key | QGYLTGSHWIGJJD-UHFFFAOYSA-N |
| MDL Number | MFCD15017488 |
| Molecular Formula | C20H14FN3O2S |
| Molecular Weight | 379.4075 |
| SMILES | O1COC2=C1C=CC(=C2)CNC=2C1=C(N=CN2)SC=C1C1=CC=C(C=C1)F |
| Synonyms | 1030123-90-0,
N-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine,
1-(2H-1,3-benzodioxol-5-yl)-N-[5-(4-fluorophenyl)-1H,4H-thieno[2,3-d]pyrimidin-4-ylidene]methanamine,
AC1PMPI8,
ZINC8064125,
AKOS001560827,
CCG-188926,
MCULE-1439283958,
F1142-6655,
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine,
QGYLTGSHWIGJJD-UHFFFAOYSA-N,
ZINC08064125,
CID9196193,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.409g/mol |
| Monoisotopic Mass | 379.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number