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Chemical ID: 7704992
Chemical ID:
7704992
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C27H21ClN2O4/c1-18-5-4-7-22(15-18)33-17-26(31)30-29-16-24-23-8-3-2-6-19(23)11-14-25(24)34-27(32)20-9-12-21(28)13-10-20/h2-16H,17H2,1H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,19,18,4,3,20,5,17,29,33,22,30,32,23,7,14,9,2,21,28,31,6,16,15,24,10,26,34,13,12,11,27,8,25/E:(9,10)(12,13)/rA:34nCCCCCCCOCCONNCCCCCCCCCCCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;s16;d17;s18;d19;d16s20;s21;d22;d15s23;s24;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H21ClN2O4 |
All Atoms: | 55 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0061 |
Area: | 695.799 |
Solvation: | -6.38884 |
Coulombic: | -47.5976 |
Bond Count [?]
All: | 37 |
Single: | 23 |
Double: | 14 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.5 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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