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Chemical ID: 7707629
Chemical ID:
7707629
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)NC(=O)C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C25H23N3O6/c1-16-5-4-6-19(13-16)27-23(29)24(30)28-26-15-17-7-10-20(11-8-17)34-25(31)18-9-12-21(32-2)22(14-18)33-3/h4-15H,1-3H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,34,32,4,3,5,17,21,26,18,20,27,7,30,15,2,16,25,6,19,28,29,9,11,23,14,8,13,10,12,24,33,31,22/E:(7,8)(10,11)/rA:34nCCCCCCCNCOCONNCCCCCCCOCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H23N3O6 |
All Atoms: | 57 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2686 |
Area: | 740.546 |
Solvation: | -7.24501 |
Coulombic: | -77.7865 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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