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Chemical ID: 6966465
Chemical ID:
6966465
Name [?]:
N,N'-bis[2-(phenylcarbamoyl)phenyl]butanediamide
SMILES [?]:
c1ccc(cc1)NC(=O)c2ccccc2NC(=O)CCC(=O)Nc3ccccc3C(=O)Nc4ccccc4
InChi [?]:
InChI=1/C30H26N4O4/c35-27(33-25-17-9-7-15-23(25)29(37)31-21-11-3-1-4-12-21)19-20-28(36)34-26-18-10-8-16-24(26)30(38)32-22-13-5-2-6-14-22/h1-18H,19-20H2,(H,31,37)(H,32,38)(H,33,35)(H,34,36)
InChi Info:
AuxInfo=1/1/N:1,36,2,6,35,37,12,27,13,26,3,5,34,38,11,28,14,25,19,20,4,33,10,29,15,24,17,21,8,30,7,32,16,23,18,22,9,31/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)(35,36)(37,38)/gE:(1,2)(3,4)/rA:38nCCCCCCNCOCCCCCCNCOCCCONCCCCCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;d17;s17;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;d30;s30;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H26N4O4 |
All Atoms: | 64 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.6414 |
Area: | 780.25 |
Solvation: | -4.8649 |
Coulombic: | -84.5804 |
Bond Count [?]
All: | 41 |
Single: | 25 |
Double: | 16 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 506.552 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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