Chemical ID: 7047572

CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3cc(ccc3OC)C
Chemical ID:
7047572
Name [?]:
N-(2-methoxy-5-methyl-phenyl)-2-oxo-7-propoxy-chromene-3-carboxamide
SMILES [?]:
CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3cc(ccc3OC)C
InChi [?]:
InChI=1/C21H21NO5/c1-4-9-26-15-7-6-14-11-16(21(24)27-19(14)12-15)20(23)22-17-10-13(2)5-8-18(17)25-3/h5-8,10-12H,4,9H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,26,2,22,7,6,23,3,20,9,15,21,8,5,10,19,24,14,16,11,18,17,12,25,4,13/rA:27nCCCOCCCCCCCOOCCCONCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s11;d8s13;d5s14;s10;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO5
All Atoms:48
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.06839
Area:593.129
Solvation:-5.75984
Coulombic:-54.2644
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.395
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.71
LogP (Chemaxon):3.94

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