Chemical ID: 6234071

CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)c4ccccc4)Cc5ccccc5
Chemical ID:
6234071
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=NC(=O)c4ccccc4)Cc5ccccc5
InChi [?]:
InChI=1/C28H22N4O4/c1-2-36-28(35)22-17-21-24(29-23-15-9-10-16-31(23)27(21)34)32(18-19-11-5-3-6-12-19)25(22)30-26(33)20-13-7-4-8-14-20/h3-17H,2,18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,34,27,33,35,26,28,13,14,32,36,25,29,12,15,7,30,31,24,8,6,11,9,20,22,17,4,10,21,16,19,23,18,5,3/E:(5,6)(7,8)(11,12)(13,14)/rA:36nCCOCOCCCCNCCCCCNCONCNCOCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s9;s6s19;w20;s21;d22;s22;s24;d25;s26;d27;d24s28;s19;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H22N4O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.0379
Area:663.915
Solvation:-3.55995
Coulombic:-67.3648
Bond Count [?]
All:40
Single:25
Double:15
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:478.499
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.82
LogP (Chemaxon):4.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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