Chemical ID: 5607725

COc1ccc(cc1)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccc(cc5)F
Chemical ID:
5607725
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccc(cc5)F
InChi [?]:
InChI=1/C29H23FN2O4/c1-36-23-15-13-22(14-16-23)31(27(33)20-9-11-21(30)12-10-20)17-4-18-32-28(34)24-7-2-5-19-6-3-8-25(26(19)24)29(32)35/h2-3,5-16H,4,17-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,24,11,19,25,17,23,31,35,32,34,5,7,4,8,10,12,20,30,33,6,3,16,22,21,28,14,26,36,9,13,29,15,27,2/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(24,25)(28,29)(34,35)/rA:36nCOCCCCCCNCCCNCOCCCCCCCCCCCOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;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;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H23FN2O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.6835
Area:674.817
Solvation:-5.18693
Coulombic:-57.1909
Bond Count [?]
All:40
Single:26
Double:14
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:482.502
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.76
LogP (Chemaxon):4.26

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Descriptor Annotations

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