| CAS Number | 1016673-78-1 |
| Catalog Number | AG01A7MQ |
| Chemical Name | 3-[(6-chloropyridin-3-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione |
| IUPAC Name | 3-[(6-chloropyridin-3-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione |
| InChI | InChI=1S/C13H14ClN3O2/c14-10-4-3-9(7-15-10)8-17-11(18)13(16-12(17)19)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H,16,19) |
| InChI Key | UWVRIXWERBRHEV-UHFFFAOYSA-N |
| MDL Number | MFCD09813829 |
| Molecular Formula | C13H14ClN3O2 |
| Molecular Weight | 279.7222 |
| SMILES | ClC1=NC=C(CN2C(=O)C3(CCCC3)NC2=O)C=C1 |
| Synonyms | 3-[(6-chloropyridin-3-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione,
1016673-78-1,
AC1Q3KTG,
CTK6H1416,
ZINC19276495,
AKOS000157147,
MCULE-6229587980,
NE33230,
EN300-59182,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.724g/mol |
| Monoisotopic Mass | 279.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number