Chemical ID: 4554503

CCc1cc2c(cc(=O)oc2cc1OCC(=O)Nc3ccc(cc3)C)C
Chemical ID:
4554503
Name [?]:
2-(6-ethyl-4-methyl-2-oxo-chromen-7-yl)oxy-N-(p-tolyl)acetamide
SMILES [?]:
CCc1cc2c(cc(=O)oc2cc1OCC(=O)Nc3ccc(cc3)C)C
InChi [?]:
InChI=1/C21H21NO4/c1-4-15-10-17-14(3)9-21(24)26-19(17)11-18(15)25-12-20(23)22-16-7-5-13(2)6-8-16/h5-11H,4,12H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,26,2,21,23,20,24,7,4,12,15,22,6,3,19,5,13,11,16,8,18,17,9,14,10/E:(5,6)(7,8)/rA:26nCCCCCCCCOOCCCOCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s8;s5s10;d11;d3s12;s13;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.45285
Area:581.585
Solvation:-5.08676
Coulombic:-46.4969
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.396
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.91
LogP (Chemaxon):4.74

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Descriptor Annotations

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