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Chemical ID: 4568034
Chemical ID:
4568034
Name [?]:
N-(4-acetylphenyl)-2-(2-oxo-4-phenyl-chromen-7-yl)oxy-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)COc2ccc3c(cc(=O)oc3c2)c4ccccc4
InChi [?]:
InChI=1/C25H19NO5/c1-16(27)17-7-9-19(10-8-17)26-24(28)15-30-20-11-12-21-22(18-5-3-2-4-6-18)14-25(29)31-23(21)13-20/h2-14H,15H2,1H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,28,30,27,31,5,9,6,8,16,17,25,20,13,2,4,26,7,15,18,19,24,11,21,10,3,12,22,14,23/E:(3,4)(5,6)(7,8)(9,10)/rA:31nCCOCCCCCCNCOCOCCCCCCCOOCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;s18;d19;s20;d21;s21;d18s23;d15s24;s19;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19NO5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61248 |
Area: | 652.729 |
Solvation: | -6.70574 |
Coulombic: | -54.3504 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 413.422 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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