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Chemical ID: 7707072
Chemical ID:
7707072
Name [?]:
None
SMILES [?]:
CC(C(=O)NN=Cc1c2ccccc2ccc1OC(=O)c3ccc(cc3)Cl)Oc4ccc(cc4)Cl
InChi [?]:
InChI=1/C27H20Cl2N2O4/c1-17(34-22-13-11-21(29)12-14-22)26(32)31-30-16-24-23-5-3-2-4-18(23)8-15-25(24)35-27(33)19-6-9-20(28)10-7-19/h2-17H,1H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,10,22,26,15,23,25,31,33,30,34,16,7,2,14,21,24,32,29,9,8,17,3,19,27,35,6,5,4,20,28,18/E:(6,7)(9,10)(11,12)(13,14)/rA:35cCCCONNCCCCCCCCCCCOCOCCCCCCClOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s2;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H20Cl2N2O4 |
All Atoms: | 55 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.6005 |
Area: | 730.89 |
Solvation: | -5.67172 |
Coulombic: | -49.2248 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 8.21 |
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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