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Chemical ID: 7707980
Chemical ID:
7707980
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2C=NNC(=O)C(c3ccccc3)O)Br
InChi [?]:
InChI=1/C24H21BrN2O6/c1-31-20-10-8-16(13-21(20)32-2)24(30)33-19-11-9-18(25)12-17(19)14-26-27-23(29)22(28)15-6-4-3-5-7-15/h3-14,22,28H,1-2H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,10,29,28,30,27,31,5,16,4,15,18,7,20,26,6,19,17,14,3,8,25,23,11,33,21,22,32,24,12,2,9,13/E:(4,5)(6,7)/rA:33cCOCCCCCCOCCOOCCCCCCCNNCOCCCCCCCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;w20;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s25;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21BrN2O6 |
All Atoms: | 54 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.73479 |
Area: | 669.327 |
Solvation: | -7.99839 |
Coulombic: | -71.1888 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.68 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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