Chemical ID: 6846957

Cc1ccc(cc1)c2c(c(=O)c3cc(cc(c3o2)C)C)OC(=O)c4ccncc4
Chemical ID:
6846957
Name [?]:
[6,8-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl] pyridine-4-carboxylate
SMILES [?]:
Cc1ccc(cc1)c2c(c(=O)c3cc(cc(c3o2)C)C)OC(=O)c4ccncc4
InChi [?]:
InChI=1/C24H19NO4/c1-14-4-6-17(7-5-14)22-23(29-24(27)18-8-10-25-11-9-18)20(26)19-13-15(2)12-16(3)21(19)28-22/h4-13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,19,3,7,4,6,25,29,26,28,15,13,2,14,16,5,24,12,10,17,8,9,22,27,11,23,18,21/E:(4,5)(6,7)(8,9)(10,11)/rA:29nCCCCCCCCCCOCCCCCCOCCOCOCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s16;s14;s9;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19NO4
All Atoms:48
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7386
Area:594.164
Solvation:-3.11546
Coulombic:-43.1834
Bond Count [?]
All:32
Single:20
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:385.412
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.31
LogP (Chemaxon):4.94

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Descriptor Annotations

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