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Chemical ID: 7706608
Chemical ID:
7706608
Name [?]:
None
SMILES [?]:
COc1cc(ccc1OCC(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl)CC=C
InChi [?]:
InChI=1/C26H25ClN2O4/c1-3-4-19-9-14-24(25(15-19)31-2)33-18-26(30)29-28-16-20-7-12-23(13-8-20)32-17-21-5-10-22(27)11-6-21/h3,5-16H,1,4,17-18H2,2H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:33,1,32,31,25,29,17,21,6,26,28,18,20,7,4,15,23,10,5,16,24,27,19,8,3,11,30,14,13,12,2,22,9/E:(5,6)(7,8)(10,11)(12,13)/rA:33nCOCCCCCCOCCONNCCCCCCCOCCCCCCCClCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s27;s5;s31;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25ClN2O4 |
All Atoms: | 58 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.5478 |
Area: | 768.089 |
Solvation: | -9.65441 |
Coulombic: | -42.7701 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.86 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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