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Chemical ID: 6154571
Chemical ID:
6154571
Name [?]:
methyl 2-cyano-3-[3-methoxy-4-[3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyloxy]phenyl]-prop-2-enoate
SMILES [?]:
CCCOc1ccc(cc1OC)C=CC(=O)Oc2ccc(cc2OC)C=C(C#N)C(=O)OC
InChi [?]:
InChI=1/C25H25NO7/c1-5-12-32-20-9-6-17(14-22(20)29-2)8-11-24(27)33-21-10-7-18(15-23(21)30-3)13-19(16-26)25(28)31-4/h6-11,13-15H,5,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,12,25,33,2,7,20,13,6,19,14,3,26,9,22,28,8,21,27,5,18,10,23,15,30,29,16,31,11,24,32,4,17/rA:33nCCCOCCCCCCOCCCCOOCCCCCCOCCCCNCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s21;w26;s27;t28;s27;d30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25NO7 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59973 |
Area: | 716.8 |
Solvation: | -8.32027 |
Coulombic: | -63.8676 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 2 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 451.469 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 4.22 |
LogP (Chemaxon): | 3.9 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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