Chemical ID: 7336166

Cc1ccc(cc1)N2C(=O)c3ccccc3C(=CNc4c5ccccc5c6nc(cn6n4)C)C2=O
Chemical ID:
7336166
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)N2C(=O)c3ccccc3C(=CNc4c5ccccc5c6nc(cn6n4)C)C2=O
InChi [?]:
InChI=1/C28H21N5O2/c1-17-11-13-19(14-12-17)33-27(34)23-10-6-3-7-20(23)24(28(33)35)15-29-25-21-8-4-5-9-22(21)26-30-18(2)16-32(26)31-25/h3-16H,1-2H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,33,14,23,24,13,15,22,25,12,3,7,4,6,18,30,2,29,5,16,21,26,11,17,20,27,9,34,19,28,32,31,8,10,35/E:(11,12)(13,14)/rA:35nCCCCCCCNCOCCCCCCCCNCCCCCCCCNCCNNCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;w17;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;s28;d29;s27s30;d20s31;s29;s8s17;d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H21N5O2
All Atoms:56
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:13.4854
Area:675.076
Solvation:-3.39147
Coulombic:-51.0836
Bond Count [?]
All:40
Single:25
Double:15
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:459.499
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.52
LogP (Chemaxon):5.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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