Chemical ID: 4569221

c1ccc(cc1)CCC2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)Cc6ccccc6Cl
Chemical ID:
4569221
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCC2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)Cc6ccccc6Cl
InChi [?]:
InChI=1/C29H26ClN3O2/c30-23-12-6-4-10-20(23)17-32-18-27(34)33-25(15-14-19-8-2-1-3-9-19)28-22(16-26(33)29(32)35)21-11-5-7-13-24(21)31-28/h1-13,25-26,31H,14-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,31,14,32,15,3,5,30,13,33,16,7,8,19,28,24,4,29,12,11,34,17,9,20,22,10,26,35,18,25,21,23,27/E:(2,3)(8,9)/rA:35cCCCCCCCCCCCCCCCCCNCCNCOCNCOCCCCCCCCl/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;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26ClN3O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:13.1966
Area:663.827
Solvation:-3.39904
Coulombic:-48.6542
Bond Count [?]
All:40
Single:28
Double:12
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:483.988
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.03
LogP (Chemaxon):5.25

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue