Chemical ID: 4489793

c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4ccc5c(c4)OCO5)c6ccccc6
Chemical ID:
4489793
Name [?]:
N-benzo[1,3]dioxol-5-yl-2,3-diphenyl-quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4ccc5c(c4)OCO5)c6ccccc6
InChi [?]:
InChI=1/C28H19N3O3/c32-28(29-21-12-14-24-25(16-21)34-17-33-24)20-11-13-22-23(15-20)31-27(19-9-5-2-6-10-19)26(30-22)18-7-3-1-4-8-18/h1-16H,17H2,(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,32,2,6,31,33,3,5,30,34,13,21,14,22,11,25,27,4,29,12,20,15,10,23,24,7,8,17,19,16,9,18,28,26/E:(3,4)(5,6)(7,8)(9,10)/rA:34nCCCCCCCCNCCCCCCNCONCCCCCCOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s12;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;s23s27;s8;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H19N3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.1494
Area:659.691
Solvation:-4.34287
Coulombic:-52.054
Bond Count [?]
All:39
Single:24
Double:15
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:445.469
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.23
LogP (Chemaxon):6.13

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Experimental Annotations

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Descriptor Annotations

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