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Chemical ID: 7707519
Chemical ID:
7707519
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3cccc4c3cccc4
InChi [?]:
InChI=1/C28H25ClN2O4/c1-2-33-27-16-21(12-15-26(27)34-18-20-10-13-23(29)14-11-20)17-30-31-28(32)19-35-25-9-5-7-22-6-3-4-8-24(22)25/h3-17H,2,18-19H2,1H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,2,34,33,28,35,29,32,27,13,17,7,14,16,8,5,19,11,24,12,6,30,15,31,26,9,4,22,18,20,21,23,3,10,25/E:(10,11)(13,14)/rA:35nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s31;d32;s33;s30d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H25ClN2O4 |
All Atoms: | 60 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.378 |
Area: | 783.535 |
Solvation: | -9.21037 |
Coulombic: | -42.7767 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.26 |
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.
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