Chemical ID: 5285286

CCOc1ccccc1C(=O)N=c2c(cc3c(n2C(C)C)nc4c(cccn4c3=O)C)C(=O)OCC
Chemical ID:
5285286
Name [?]:
None
SMILES [?]:
CCOc1ccccc1C(=O)N=c2c(cc3c(n2C(C)C)nc4c(cccn4c3=O)C)C(=O)OCC
InChi [?]:
InChI=1/C27H28N4O5/c1-6-35-21-13-9-8-12-18(21)25(32)29-24-20(27(34)36-7-2)15-19-23(31(24)16(3)4)28-22-17(5)11-10-14-30(22)26(19)33/h8-16H,6-7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,36,20,21,31,2,35,7,6,26,25,8,5,27,15,19,24,9,16,14,4,23,17,13,10,29,32,22,12,28,18,11,30,33,3,34/E:(3,4)/rA:36nCCOCCCCCCCONCCCCCNCCCNCCCCCNCOCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;w12;s13;d14;s15;d16;s13s17;s18;s19;s19;s17;d22;s23;d24;s25;d26;s23s27;s16s28;d29;s24;s14;d32;s32;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N4O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.9651
Area:658.776
Solvation:-4.50434
Coulombic:-71.9215
Bond Count [?]
All:39
Single:27
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:488.535
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.47
LogP (Chemaxon):4.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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