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Chemical ID: 7703731
Chemical ID:
7703731
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)C(c3ccccc3)O
InChi [?]:
InChI=1/C27H28N2O6/c1-3-16-34-22-13-11-21(12-14-22)27(32)35-23-15-10-19(17-24(23)33-4-2)18-28-29-26(31)25(30)20-8-6-5-7-9-20/h5-15,17-18,25,30H,3-4,16H2,1-2H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,22,2,21,32,31,33,30,34,16,7,9,6,10,15,3,18,23,17,29,8,5,14,19,28,26,11,24,25,35,27,12,20,4,13/E:(6,7)(8,9)(11,12)(13,14)/rA:35cCCCOCCCCCCCOOCCCCCCOCCCNNCOCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s17;w23;s24;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28N2O6 |
All Atoms: | 63 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7205 |
Area: | 720.485 |
Solvation: | -7.29167 |
Coulombic: | -72.8981 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 13 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.08 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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