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Chemical ID: 4298203
Chemical ID:
4298203
Name [?]:
N-benzyl-N'-[[3-[(benzylcarbamoylformyl)aminomethyl]phenyl]methyl]oxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)C(=O)NCc2cccc(c2)CNC(=O)C(=O)NCc3ccccc3
InChi [?]:
InChI=1/C26H26N4O4/c31-23(27-15-19-8-3-1-4-9-19)25(33)29-17-21-12-7-13-22(14-21)18-30-26(34)24(32)28-16-20-10-5-2-6-11-20/h1-14H,15-18H2,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,32,2,6,31,33,17,3,5,30,34,16,18,20,7,28,14,21,4,29,15,19,9,25,11,23,8,27,13,22,10,26,12,24/E:(1,2)(3,4,5,6)(8,9,10,11)(12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/gE:(1,2)(3,4)/rA:34nCCCCCCCNCOCONCCCCCCCCNCOCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;d23;s23;d25;s25;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N4O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.912 |
Area: | 779.397 |
Solvation: | -3.57287 |
Coulombic: | -97.9058 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 458.509 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 2.6 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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