Chemical ID: 6847026

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)c4cc(cnc4)Br)C
Chemical ID:
6847026
Name [?]:
[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl] 5-bromopyridine-3-carboxylate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)c4cc(cnc4)Br)C
InChi [?]:
InChI=1/C24H18BrNO5/c1-13-8-14(2)21-19(9-13)20(27)23(31-24(28)16-10-17(25)12-26-11-16)22(30-21)15-4-6-18(29-3)7-5-15/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,20,14,18,15,17,3,7,25,29,27,2,4,13,24,26,16,6,8,5,11,10,22,30,28,9,23,19,12,21/E:(4,5)(6,7)/rA:31nCCCCCCCCOCCOCCCCCCOCOCOCCCCNCBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s22;s24;d25;s26;d27;d24s28;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18BrNO5
All Atoms:49
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.7722
Area:640.01
Solvation:-4.22801
Coulombic:-49.6685
Bond Count [?]
All:34
Single:22
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:480.307
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.58
LogP (Chemaxon):5.01

Name Annotations

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Descriptor Annotations

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