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Chemical ID: 6625009
Chemical ID:
6625009
Name [?]:
N-[(4-butoxyphenyl)methyleneamino]-N'-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-oxamide
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)OCC
InChi [?]:
InChI=1/C28H30N4O5/c1-3-5-18-37-23-14-10-20(11-15-23)19-29-32-28(35)27(34)31-25-9-7-6-8-24(25)26(33)30-21-12-16-22(17-13-21)36-4-2/h6-17,19H,3-5,18H2,1-2H3,(H,30,33)(H,31,34)(H,32,35)
InChi Info:
AuxInfo=1/1/N:1,37,2,36,3,23,22,24,21,8,10,30,34,7,11,31,33,4,12,9,29,32,6,25,20,26,17,15,13,28,19,14,27,18,16,35,5/E:(10,11)(12,13)(14,15)(16,17)/rA:37nCCCCOCCCCCCCNNCOCONCCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;s32;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H30N4O5 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7394 |
Area: | 797.211 |
Solvation: | -6.19085 |
Coulombic: | -81.3018 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 15 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 502.562 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 9 |
XLogP: | 6.03 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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