| CAS Number | 1353877-96-9 |
| Catalog Number | AG00IUUT(AGN-PC-0WB0NV) |
| Chemical Name | Methyl 3-amino-6-chlorothieno[2,3-b]1,8-naphthyridine-2-carboxylate |
| IUPAC Name | methyl 3-amino-6-chlorothieno[2,3-b][1,8]naphthyridine-2-carboxylate |
| InChI | InChI=1S/C12H8ClN3O2S/c1-18-12(17)9-8(14)7-3-5-2-6(13)4-15-10(5)16-11(7)19-9/h2-4H,14H2,1H3 |
| InChI Key | PFFZGLXRMCBFRX-UHFFFAOYSA-N |
| MDL Number | MFCD20444443 |
| Molecular Formula | C12H8ClN3O2S |
| Molecular Weight | 293.7288 |
| SMILES | ClC1(=CN=C2(N=C3(SC(=C(C3(=CC2(=C1)))N)C(=O)OC))) |
| Synonyms | methyl 3-amino-6-chlorothieno[2,3-b]1,8-naphthyridine-2-carboxylate,
1353877-96-9,
KS-00001Q8H,
ZX-RL003502,
MFCD20444443,
ZINC71789000,
AKOS015991502,
KF-0732,
MCULE-5627627873,
RP15881,
OR310212,
methylaminochlorothienobnaphthyridinecarboxylate,
Methyl 3-amino-6-chlorothieno[2,3-b]-1,8-naphthyridine-2-carboxylate,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.725g/mol |
| Monoisotopic Mass | 293.003g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number