Chemical ID: 6531807

CC(C)(C)c1ccc(cc1)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccccc5OC
Chemical ID:
6531807
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccccc5OC
InChi [?]:
InChI=1/C33H32N2O4/c1-33(2,3)23-16-18-24(19-17-23)34(30(36)25-12-5-6-15-28(25)39-4)20-9-21-35-31(37)26-13-7-10-22-11-8-14-27(29(22)26)32(35)38/h5-8,10-19H,9,20-21H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,39,34,35,20,26,13,21,27,33,19,25,36,6,10,7,9,12,14,22,5,8,32,18,24,37,23,30,16,28,2,11,15,31,17,29,38/E:(1,2,3)(7,8)(10,11)(13,14)(16,17)(18,19)(26,27)(31,32)(37,38)/rA:39nCCCCCCCCCCNCCCNCOCCCCCCCCCCCOCOCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s15s24;d28;s11;d30;s30;s32;d33;s34;d35;d32s36;s37;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H32N2O4
All Atoms:39
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:13.5858
Area:743.828
Solvation:-5.00989
Coulombic:-54.5729
Bond Count [?]
All:43
Single:29
Double:14
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:520.618
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:7.41
LogP (Chemaxon):5.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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