Chemical ID: 4958945

CCc1c(c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc1[nH]2)C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C
Chemical ID:
4958945
Name [?]:
None
SMILES [?]:
CCc1c(c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc1[nH]2)C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C
InChi [?]:
InChI=1/C34H38N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16,35,38H,7-12H2,1-6H3,(H,39,40)(H,41,42)
InChi Info:
AuxInfo=1/1/N:1,26,42,27,36,28,2,25,37,29,38,30,6,20,16,10,4,23,35,13,3,24,34,12,5,7,19,14,21,17,9,11,39,31,22,18,8,15,40,41,32,33/E:(39,40)(41,42)/rA:42nCCCCCCCNCCCCCCNCCNCCCNCCCCCCCCCOOCCCCCCOOC/rB:s1;s2;s3;d4;s5;w6;s7;d8;s9;w10;s11;d12;s13;s11s14;w14;s16;d17;s18;w19;d3s20;s5s21;s19;s17d23;s24;s25;s23;s13;s12;s29;s30;d31;s31;s9;s7d34;s35;s34;s37;s38;d39;s39;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C34H38N4O4
All Atoms:42
Heavy Atoms:42
Chiral Atoms:0
ZAP Information [?]
Total:14.2218
Area:822.541
Solvation:-6.34177
Coulombic:-80.6558
Bond Count [?]
All:46
Single:33
Double:13
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:566.69
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.58
LogP (Chemaxon):8.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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