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Chemical ID: 6902617
Chemical ID:
6902617
Name [?]:
N-(2-chlorophenyl)-2-[6-ethyl-2-(4-methoxyphenyl)-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
CCc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)Nc4ccccc4Cl
InChi [?]:
InChI=1/C26H22ClNO5/c1-3-16-8-13-22-19(14-16)24(30)26(25(33-22)17-9-11-18(31-2)12-10-17)32-15-23(29)28-21-7-5-4-6-20(21)27/h4-14H,3,15H2,1-2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,21,2,30,29,31,28,4,15,19,16,18,5,8,23,3,14,17,7,32,27,6,24,9,12,11,33,26,25,10,20,22,13/E:(9,10)(11,12)/rA:33nCCCCCCCCCOCCOCCCCCCOCOCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;d11;s6s12;s12;s14;d15;s16;d17;d14s18;s17;s20;s11;s22;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22ClNO5 |
All Atoms: | 55 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7805 |
Area: | 696.039 |
Solvation: | -5.62046 |
Coulombic: | -55.9338 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 463.909 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.05 |
LogP (Chemaxon): | 4.93 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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