Chemical ID: 5270460

CCOCCCn1c2c(cc(c1=NC(=O)c3ccccc3Cl)C(=O)OCC)c(=O)n4ccccc4n2
Chemical ID:
5270460
Name [?]:
None
SMILES [?]:
CCOCCCn1c2c(cc(c1=NC(=O)c3ccccc3Cl)C(=O)OCC)c(=O)n4ccccc4n2
InChi [?]:
InChI=1/C26H25ClN4O5/c1-3-35-15-9-14-31-22-18(25(33)30-13-8-7-12-21(30)28-22)16-19(26(34)36-4-2)23(31)29-24(32)17-10-5-6-11-20(17)27/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,26,18,19,33,32,5,17,20,34,31,6,4,10,16,9,11,21,35,8,12,14,28,23,22,36,13,30,7,15,29,24,3,25/rA:36nCCOCCCNCCCCCNCOCCCCCCClCOOCCCONCCCCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s7s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s11;d23;s23;s25;s26;s9;d28;s28;s30;d31;s32;d33;s30s34;s8d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25ClN4O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:12.4908
Area:697.455
Solvation:-4.94559
Coulombic:-72.7455
Bond Count [?]
All:39
Single:27
Double:12
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:508.953
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.32
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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