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Chemical ID: 7047261
Chemical ID:
7047261
Name [?]:
7-methoxy-2-oxo-N',N'-diphenyl-chromene-3-carbohydrazide
SMILES [?]:
COc1ccc2cc(c(=O)oc2c1)C(=O)NN(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C23H18N2O4/c1-28-19-13-12-16-14-20(23(27)29-21(16)15-19)22(26)24-25(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,21,27,20,22,26,28,19,23,25,29,5,4,7,13,6,18,24,3,8,12,14,9,16,17,15,10,2,11/E:(2,3)(4,5,6,7)(8,9,10,11)(17,18)/rA:29nCOCCCCCCCOOCCCONNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s8;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s17;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2O4 |
All Atoms: | 47 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97956 |
Area: | 600.041 |
Solvation: | -6.02146 |
Coulombic: | -47.5602 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.92 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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