| CAS Number | 1622059-69-1 |
| Catalog Number | AG00IWM8(AGN-PC-0WAZEV) |
| Chemical Name | methyl-2-acetamido-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate |
| IUPAC Name | methyl 2-acetamido-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate |
| InChI | InChI=1S/C17H23N3O3/c1-13(21)18-16(17(22)23-3)12-14-4-6-15(7-5-14)20-10-8-19(2)9-11-20/h4-7,12H,8-11H2,1-3H3,(H,18,21) |
| InChI Key | DBYRDEZGKYEVSF-UHFFFAOYSA-N |
| MDL Number | MFCD28122601 |
| Molecular Formula | C17H23N3O3 |
| Molecular Weight | 317.3828 |
| SMILES | O=C(OC)C(NC(=O)C)=CC2(=CC=C(N1(CCN(C)CC1))C=C2) |
| Synonyms | 1622059-69-1,
methyl 2-acetamido-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate,
methyl-2-acetamido-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate,
KS-000024XT,
AKOS024258564,
EK-0710,
|
| Complexity | 448 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.389g/mol |
| Monoisotopic Mass | 317.174g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number