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Chemical ID: 7708251
Chemical ID:
7708251
Name [?]:
None
SMILES [?]:
CC(C(=O)NN=Cc1cccc(c1)OC(=O)c2ccc(cc2)Cl)Oc3ccc(cc3)Br
InChi [?]:
InChI=1/C23H18BrClN2O4/c1-15(30-20-11-7-18(24)8-12-20)22(28)27-26-14-16-3-2-4-21(13-16)31-23(29)17-5-9-19(25)10-6-17/h2-15H,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,18,22,27,29,19,21,26,30,13,7,2,8,17,28,20,25,12,3,15,31,23,6,5,4,16,24,14/E:(5,6)(7,8)(9,10)(11,12)/rA:31cCCCONNCCCCCCCOCOCCCCCCClOCCCCCCBr/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s2;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18BrClN2O4 |
All Atoms: | 49 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.0447 |
Area: | 710.482 |
Solvation: | -5.71741 |
Coulombic: | -48.0984 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.12 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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