| CAS Number | 1375105-96-6 |
| Catalog Number | AG009CHW |
| Chemical Name | FAS-IN-1 |
| IUPAC Name | 4-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one |
| InChI | InChI=1S/C26H27N3O4S/c30-25-17-33-26(18-29(25)22-7-8-22)11-14-28(15-12-26)34(31,32)23-9-5-19(6-10-23)21-4-3-20-2-1-13-27-24(20)16-21/h1-6,9-10,13,16,22H,7-8,11-12,14-15,17-18H2 |
| InChI Key | OGGOWHOQMIINAZ-UHFFFAOYSA-N |
| MDL Number | MFCD28411424 |
| Molecular Formula | C26H27N3O4S |
| Molecular Weight | 477.5753 |
| SMILES | O1C2(CCN(S(C3=CC=C(C4C=C5C(=CC=4)C=CC=N5)C=C3)(=O)=O)CC2)CN(C2CC2)C(=O)C1 |
| Synonyms | FAS-IN-1,
1375105-96-6,
CHEMBL2147032,
4-Cyclopropyl-9-(4-quinolin-7-yl-benzenesulfonyl)-1-oxa-4,9-diaza-spiro[5.5]undecan-3-one,
SCHEMBL4541971,
OGGOWHOQMIINAZ-UHFFFAOYSA-N,
BCP28627,
BDBM50391837,
ZINC95558833,
AKOS030526462,
CS-3932,
NCGC00485940-01,
HY-12648,
FT-0697614,
4-cyclopropyl-9-{[4-(7-quinolinyl)phenyl]sulfonyl}-1-oxa-4,9-diazaspiro[5.5]undecan-3-one,
|
| Complexity | 854 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 477.172g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 477.579g/mol |
| Monoisotopic Mass | 477.172g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number