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Chemical ID: 7706473
Chemical ID:
7706473
Name [?]:
None
SMILES [?]:
CC(C(=O)NN=Cc1ccccc1OC(=O)c2ccc(cc2)Cl)Oc3ccc(cc3)Br
InChi [?]:
InChI=1/C23H18BrClN2O4/c1-15(30-20-12-8-18(24)9-13-20)22(28)27-26-14-17-4-2-3-5-21(17)31-23(29)16-6-10-19(25)11-7-16/h2-15H,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,10,11,9,12,18,22,27,29,19,21,26,30,7,2,17,8,28,20,25,13,3,15,31,23,6,5,4,16,24,14/E:(6,7)(8,9)(10,11)(12,13)/rA:31cCCCONNCCCCCCCOCOCCCCCCClOCCCCCCBr/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;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: | 11.8929 |
Area: | 694.732 |
Solvation: | -5.47539 |
Coulombic: | -48.5683 |
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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