Chemical ID: 6233755

CCOc1ccc(cc1)C(=O)N=c2c(cc3c(n2CC(C)C)nc4ccccn4c3=O)C(=O)OCC
Chemical ID:
6233755
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C(=O)N=c2c(cc3c(n2CC(C)C)nc4ccccn4c3=O)C(=O)OCC
InChi [?]:
InChI=1/C27H28N4O5/c1-5-35-19-12-10-18(11-13-19)25(32)29-24-21(27(34)36-6-2)15-20-23(31(24)16-17(3)4)28-22-9-7-8-14-30(22)26(20)33/h7-15,17H,5-6,16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,36,21,22,2,35,26,27,25,6,8,5,9,28,15,19,20,7,4,16,14,24,17,13,10,30,32,23,12,29,18,11,31,33,3,34/E:(3,4)(10,11)(12,13)/rA:36nCCOCCCCCCCONCCCCCNCCCCNCCCCCNCOCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;w12;s13;d14;s15;d16;s13s17;s18;s19;s20;s20;s17;d23;s24;d25;s26;d27;s24s28;s16s29;d30;s14;d32;s32;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N4O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:12.9488
Area:694.226
Solvation:-4.40686
Coulombic:-72.5879
Bond Count [?]
All:39
Single:27
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:488.535
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.52
LogP (Chemaxon):4.29

Name Annotations

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Descriptor Annotations

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