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Chemical ID: 7707720
Chemical ID:
7707720
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(cc2)OC)C=NNC(=O)C(C)Oc3ccc4ccccc4c3
InChi [?]:
InChI=1/C30H28N2O6/c1-4-36-28-17-21(9-16-27(28)38-30(34)23-11-13-25(35-3)14-12-23)19-31-32-29(33)20(2)37-26-15-10-22-7-5-6-8-24(22)18-26/h5-20H,4H2,1-3H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,27,20,2,34,35,33,36,7,31,14,18,15,17,30,8,5,38,21,26,6,32,13,37,16,29,9,4,24,11,22,23,25,12,19,3,28,10/E:(11,12)(13,14)/rA:38cCCOCCCCCCOCOCCCCCCOCCNNCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s6;w21;s22;s23;d24;s24;s26;s26;s28;s29;d30;s31;s32;d33;s34;d35;d32s36;d29s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H28N2O6 |
All Atoms: | 66 |
Heavy Atoms: | 38 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4099 |
Area: | 794.97 |
Solvation: | -8.46433 |
Coulombic: | -62.4691 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.95 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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