| CAS Number | 1776116-74-5 |
| Catalog Number | AG01ENL5(AGN-PC-3H45OM) |
| Chemical Name | 5-[(4-[1,1′-Biphenyl]-4-yl-1,6-dihydro-6-oxo-2-pyrimidinyl)thio]-N-hydroxypentanamide |
| IUPAC Name | N-hydroxy-5-[[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentanamide |
| InChI | InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26) |
| InChI Key | AOFVDNFTELWRHV-UHFFFAOYSA-N |
| MDL Number | MFCD30290158 |
| Molecular Formula | C21H21N3O3S |
| Molecular Weight | 395.4747 |
| SMILES | C1(=CC=C(C=C1)C=1N=C(NC(C1)=O)SCCCCC(=O)NO)C1=CC=CC=C1 |
| Synonyms | 5-((4-((1,1'-biphenyl)-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-hydroxypentanamide,
MC1742,
MC 1742,
CHEMBL3426803,
1776116-74-5,
SCHEMBL18495059,
BDBM50087845,
MC1742,
AKOS027470271,
ZINC140782936,
5-[[6-oxo-4-(4-phenylphenyl)-1H-pyrimidin-2-yl]sulfanyl]pentanehydroxamic acid,
5-{[4-(Biphenyl-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-hydroxypentanamide,
AOFVDNFTELWRHV-UHFFFAOYSA-N,
5-[(4-[1,1'-Biphenyl]-4-yl-1,6-dihydro-6-oxo-2-pyrimidinyl)thio]-N-hydroxypentanamide,
|
| Complexity | 606 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 395.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.477g/mol |
| Monoisotopic Mass | 395.13g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number