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Chemical ID: 4567108
Chemical ID:
4567108
Name [?]:
N-(4-ethylphenyl)-2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxy-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)COc2ccc3c(c(c(=O)oc3c2C)C)C
InChi [?]:
InChI=1/C22H23NO4/c1-5-16-6-8-17(9-7-16)23-20(24)12-26-19-11-10-18-13(2)14(3)22(25)27-21(18)15(19)4/h6-11H,5,12H2,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,26,25,2,4,8,5,7,16,15,12,18,19,24,3,6,17,14,10,23,20,9,11,21,13,22/E:(6,7)(8,9)/rA:27nCCCCCCCCNCOCOCCCCCCCOOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;s17;d18;s19;d20;s20;d17s22;d14s23;s24;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59741 |
Area: | 594.468 |
Solvation: | -5.26429 |
Coulombic: | -46.8487 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.422 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.05 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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