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Chemical ID: 6625189
Chemical ID:
6625189
Name [?]:
N-[(4-butoxyphenyl)methyleneamino]-N'-[2-(phenylcarbamoyl)phenyl]-oxamide
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C26H26N4O4/c1-2-3-17-34-21-15-13-19(14-16-21)18-27-30-26(33)25(32)29-23-12-8-7-11-22(23)24(31)28-20-9-5-4-6-10-20/h4-16,18H,2-3,17H2,1H3,(H,28,31)(H,29,32)(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,2,3,32,31,33,23,22,30,34,24,21,8,10,7,11,4,12,9,29,6,25,20,26,17,15,13,28,19,14,27,18,16,5/E:(5,6)(9,10)(13,14)(15,16)/rA:34nCCCCOCCCCCCCNNCOCONCCCCCCCONCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N4O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2725 |
Area: | 733.004 |
Solvation: | -5.05259 |
Coulombic: | -74.8514 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 458.509 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 5.69 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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