Chemical ID: 5287146

CCOCCCn1c2c(cc(c1=NC(=O)c3ccccc3)C(=O)OCC)c(=O)n4cccc(c4n2)C
Chemical ID:
5287146
Name [?]:
None
SMILES [?]:
CCOCCCn1c2c(cc(c1=NC(=O)c3ccccc3)C(=O)OCC)c(=O)n4cccc(c4n2)C
InChi [?]:
InChI=1/C27H28N4O5/c1-4-35-16-10-15-30-23-20(26(33)31-14-9-11-18(3)22(31)28-23)17-21(27(34)36-5-2)24(30)29-25(32)19-12-7-6-8-13-19/h6-9,11-14,17H,4-5,10,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,36,2,25,19,18,20,31,5,32,17,21,30,6,4,10,33,16,9,11,34,8,12,14,27,22,35,13,7,29,15,28,23,3,24/E:(7,8)(12,13)/rA:36nCCOCCCNCCCCCNCOCCCCCCCOOCCCONCCCCCNC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s7s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s11;d22;s22;s24;s25;s9;d27;s27;s29;d30;s31;d32;s29s33;s8d34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N4O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:12.4803
Area:689.592
Solvation:-4.7595
Coulombic:-73.2763
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:2.84
LogP (Chemaxon):3.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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