Chemical ID: 5627340

Cc1ccc(c(c1)C)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccccc5
Chemical ID:
5627340
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)C)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccccc5
InChi [?]:
InChI=1/C30H26N2O3/c1-20-15-16-26(21(2)19-20)31(28(33)23-9-4-3-5-10-23)17-8-18-32-29(34)24-13-6-11-22-12-7-14-25(27(22)24)30(32)35/h3-7,9-16,19H,8,17-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,33,32,34,18,24,11,31,35,19,25,17,23,3,4,10,12,7,2,6,20,30,16,22,5,21,28,14,26,9,13,29,15,27/E:(4,5)(6,7)(9,10)(11,12)(13,14)(24,25)(29,30)(34,35)/rA:35nCCCCCCCCNCCCNCOCCCCCCCCCCCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s13s22;d26;s9;d28;s28;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H26N2O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:13.587
Area:672.389
Solvation:-3.22273
Coulombic:-47.8678
Bond Count [?]
All:39
Single:25
Double:14
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:462.539
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.35
LogP (Chemaxon):5.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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