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Chemical ID: 6632769
Chemical ID:
6632769
Name [?]:
N-[(4-butoxyphenyl)methyleneamino]-N'-[2-(cyclohexylcarbamoyl)phenyl]-oxamide
SMILES [?]:
CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C26H32N4O4/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/h7-8,11-16,18,20H,2-6,9-10,17H2,1H3,(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;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N4O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.974 |
Area: | 746.497 |
Solvation: | -4.68838 |
Coulombic: | -75.187 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 464.557 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 5.95 |
LogP (Chemaxon): | 5.07 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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