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Chemical ID: 5853336
Chemical ID:
5853336
Name [?]:
N'-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-N-(p-tolyl)oxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C23H28N4O4/c1-17-3-7-19(8-4-17)25-22(29)21(28)24-11-12-26-13-15-27(16-14-26)23(30)18-5-9-20(31-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,24,28)(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,31,3,7,25,29,4,6,26,28,14,15,17,21,18,20,2,24,5,27,11,9,22,13,8,16,19,12,10,23,30/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:31nCCCCCCCNCOCONCCNCCNCCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s11;s13;s14;s15;s16;s17;s18;s19;s16s20;s19;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28N4O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3245 |
Area: | 685.89 |
Solvation: | -4.8228 |
Coulombic: | -76.1105 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 424.493 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 1.81 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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