| CAS Number | 2003234-64-6 |
| Catalog Number | AG01EOEH(AGN-PC-3H46CC) |
| Chemical Name | (S)-GNE-140 |
| IUPAC Name | (2S)-5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-(4-morpholin-4-ylphenyl)-2-thiophen-3-yl-1,3-dihydropyridin-6-one |
| InChI | InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m0/s1 |
| InChI Key | SUFXXEIVBZJOAP-VWLOTQADSA-N |
| MDL Number | MFCD31630834 |
| Molecular Formula | C25H23ClN2O3S2 |
| Molecular Weight | 499.0447 |
| SMILES | N1[C@@](C2=CC=C(N3CCOCC3)C=C2)(C2C=CSC=2)CC(O)=C(SC2=CC=CC=C2Cl)C1=O |
| Synonyms | (S)-GNE-140,
2003234-64-6,
CS-7982,
HY-100742B,
(2~{s})-5-(2-Chlorophenyl)sulfanyl-2-(4-Morpholin-4-Ylphenyl)-4-Oxidanyl-2-Thiophen-3-Yl-1,3-Dihydropyridin-6-One,
|
| Complexity | 739 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 498.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 499.04g/mol |
| Monoisotopic Mass | 498.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number