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Chemical ID: 7705827
Chemical ID:
7705827
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2C=NNC(=O)C(c3ccccc3)O)Br
InChi [?]:
InChI=1/C24H21BrN2O5/c1-2-31-20-11-8-17(9-12-20)24(30)32-21-13-10-19(25)14-18(21)15-26-27-23(29)22(28)16-6-4-3-5-7-16/h3-15,22,28H,2H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,2,28,27,29,26,30,6,8,15,5,9,14,17,19,25,7,18,16,4,13,24,22,10,32,20,21,31,23,11,3,12/E:(4,5)(6,7)(8,9)(11,12)/rA:32cCCOCCCCCCCOOCCCCCCCNNCOCCCCCCCOBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;w19;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s24;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21BrN2O5 |
All Atoms: | 53 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7198 |
Area: | 661.503 |
Solvation: | -5.81774 |
Coulombic: | -65.5866 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.45 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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