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Chemical ID: 4274246
Chemical ID:
4274246
Name [?]:
N,N'-bis(4-acetamido-2-chloro-phenyl)terephthalamide
SMILES [?]:
CC(=O)Nc1ccc(c(c1)Cl)NC(=O)c2ccc(cc2)C(=O)Nc3ccc(cc3Cl)NC(=O)C
InChi [?]:
InChI=1/C24H20Cl2N4O4/c1-13(31)27-17-7-9-21(19(25)11-17)29-23(33)15-3-5-16(6-4-15)24(34)30-22-10-8-18(12-20(22)26)28-14(2)32/h3-12H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,34,16,20,17,19,6,26,7,25,10,28,2,32,15,18,5,27,9,29,8,24,13,21,11,30,4,31,12,23,3,33,14,22/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(13,14)(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:34nCCONCCCCCCClNCOCCCCCCCONCCCCCCClNCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s8;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;s27;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20Cl2N4O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4505 |
Area: | 744.412 |
Solvation: | -5.15984 |
Coulombic: | -81.6564 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 499.346 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 2.87 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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