Chemical ID: 5646488

c1ccc(cc1)CC(=O)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)c5cccc(c5)F
Chemical ID:
5646488
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CC(=O)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)c5cccc(c5)F
InChi [?]:
InChI=1/C29H23FN2O3/c30-22-12-6-13-23(19-22)31(26(33)18-20-8-2-1-3-9-20)16-7-17-32-28(34)24-14-4-10-21-11-5-15-25(27(21)24)29(32)35/h1-6,8-15,19H,7,16-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,19,25,31,12,3,5,20,26,32,30,18,24,11,13,7,34,4,21,33,29,17,23,8,22,15,27,35,10,14,9,16,28/E:(2,3)(4,5)(8,9)(10,11)(14,15)(24,25)(28,29)(34,35)/rA:35nCCCCCCCCONCCCNCOCCCCCCCCCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s14s23;d27;s10;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H23FN2O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.6101
Area:690.962
Solvation:-4.66398
Coulombic:-49.05
Bond Count [?]
All:39
Single:25
Double:14
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:466.503
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.66
LogP (Chemaxon):4.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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