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Chemical ID: 6908615
Chemical ID:
6908615
Name [?]:
N-cyclohexyl-2-(4-oxo-2-phenyl-chromen-3-yl)oxy-acetamide
SMILES [?]:
c1ccc(cc1)c2c(c(=O)c3ccccc3o2)OCC(=O)NC4CCCCC4
InChi [?]:
InChI=1/C23H23NO4/c25-20(24-17-11-5-2-6-12-17)15-27-23-21(26)18-13-7-8-14-19(18)28-22(23)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,25,27,13,14,3,5,24,28,12,15,19,4,23,11,16,20,9,7,8,22,21,10,18,17/E:(3,4)(5,6)(9,10)(11,12)/rA:28nCCCCCCCCCOCCCCCCOOCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s8;s18;s19;d20;s20;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO4 |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3268 |
Area: | 592.228 |
Solvation: | -4.47888 |
Coulombic: | -48.962 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 377.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.87 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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