Chemical ID: 4570893

c1ccc(cc1)CCC2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)Cc6ccc(cc6)F
Chemical ID:
4570893
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCC2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)Cc6ccc(cc6)F
InChi [?]:
InChI=1/C29H26FN3O2/c30-21-13-10-20(11-14-21)17-32-18-27(34)33-25(15-12-19-6-2-1-3-7-19)28-23(16-26(33)29(32)35)22-8-4-5-9-24(22)31-28/h1-11,13-14,25-26,31H,12,15-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,3,5,13,16,30,34,7,31,33,8,19,28,24,4,29,32,12,11,17,9,20,22,10,26,35,18,25,21,23,27/E:(2,3)(6,7)(10,11)(13,14)/rA:35cCCCCCCCCCCCCCCCCCNCCNCOCNCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s19;s9s20;s21;d22;s22;s24;s20s25;d26;s25;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26FN3O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:12.1777
Area:662.665
Solvation:-4.38889
Coulombic:-51.2812
Bond Count [?]
All:40
Single:28
Double:12
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:467.534
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.57
LogP (Chemaxon):4.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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