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Chemical ID: 6319012
Chemical ID:
6319012
Name [?]:
N,N'-bis(4-phenoxyphenyl)butanediamide
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)NC(=O)CCC(=O)Nc3ccc(cc3)Oc4ccccc4
InChi [?]:
InChI=1/C28H24N2O4/c31-27(29-21-11-15-25(16-12-21)33-23-7-3-1-4-8-23)19-20-28(32)30-22-13-17-26(18-14-22)34-24-9-5-2-6-10-24/h1-18H,19-20H2,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,32,2,6,31,33,3,5,30,34,10,12,23,27,9,13,24,26,17,18,11,22,4,29,8,25,15,19,14,21,16,20,7,28/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)/rA:34nCCCCCCOCCCCCCNCOCCCONCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24N2O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8924 |
Area: | 714.273 |
Solvation: | -4.96444 |
Coulombic: | -56.8035 |
Bond Count [?]
All: | 37 |
Single: | 23 |
Double: | 14 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 452.501 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.96 |
LogP (Chemaxon): | 5.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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