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Chemical ID: 6625233
Chemical ID:
6625233
Name [?]:
N'-[(3-allyloxyphenyl)methyleneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-oxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cccc(c3)OCC=C
InChi [?]:
InChI=1/C27H26N4O5/c1-3-16-36-22-9-7-8-19(17-22)18-28-31-27(34)26(33)30-24-11-6-5-10-23(24)25(32)29-20-12-14-21(15-13-20)35-4-2/h3,5-15,17-18H,1,4,16H2,2H3,(H,29,32)(H,30,33)(H,31,34)
InChi Info:
AuxInfo=1/1/N:36,1,35,2,15,16,29,28,30,14,17,6,8,5,9,34,32,26,27,7,4,31,13,18,11,20,22,25,10,19,24,12,21,23,3,33/E:(12,13)(14,15)/rA:36nCCOCCCCCCNCOCCCCCCNCOCONNCCCCCCCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;d22;s22;s24;w25;s26;s27;d28;s29;d30;d27s31;s31;s33;s34;d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H26N4O5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7325 |
Area: | 768.953 |
Solvation: | -6.49127 |
Coulombic: | -81.9078 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 14 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 486.519 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 9 |
XLogP: | 5.29 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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