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Chemical ID: 7708052
Chemical ID:
7708052
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3ccc(c(c3)OC)O
InChi [?]:
InChI=1/C25H24N4O6/c1-3-35-18-11-9-17(10-12-18)27-23(31)19-6-4-5-7-20(19)28-24(32)25(33)29-26-15-16-8-13-21(30)22(14-16)34-2/h4-15,30H,3H2,1-2H3,(H,27,31)(H,28,32)(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,34,2,15,16,14,17,28,6,8,5,9,29,32,26,27,7,4,13,18,30,31,11,20,22,25,10,19,24,35,12,21,23,33,3/E:(9,10)(11,12)/rA:35nCCOCCCCCCNCOCCCCCCNCOCONNCCCCCCCOCO/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;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N4O6 |
All Atoms: | 59 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6912 |
Area: | 747.71 |
Solvation: | -8.00159 |
Coulombic: | -95.139 |
Bond Count [?]
All: | 37 |
Single: | 24 |
Double: | 13 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.27 |
LogP (Chemaxon): | None |
Name Annotations
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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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