Chemical ID: 5283830

CCOCCCn1c2c(cc(c1=NC(=O)c3cccc(c3)C)C(=O)OCC)c(=O)n4ccccc4n2
Chemical ID:
5283830
Name [?]:
None
SMILES [?]:
CCOCCCn1c2c(cc(c1=NC(=O)c3cccc(c3)C)C(=O)OCC)c(=O)n4ccccc4n2
InChi [?]:
InChI=1/C27H28N4O5/c1-4-35-15-9-14-31-23-20(26(33)30-13-7-6-12-22(30)28-23)17-21(27(34)36-5-2)24(31)29-25(32)19-11-8-10-18(3)16-19/h6-8,10-13,16-17H,4-5,9,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,22,2,26,33,32,18,5,19,17,34,31,6,4,21,10,20,16,9,11,35,8,12,14,28,23,36,13,30,7,15,29,24,3,25/rA:36nCCOCCCNCCCCCNCOCCCCCCCCOOCCCONCCCCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s7s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s11;d23;s23;s25;s26;s9;d28;s28;s30;d31;s32;d33;s30s34;s8d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N4O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:12.6907
Area:698.661
Solvation:-4.77585
Coulombic:-73.0023
Bond Count [?]
All:39
Single:27
Double:12
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:488.535
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.14
LogP (Chemaxon):3.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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