Chemical ID: 7080154

CCCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
Chemical ID:
7080154
Name [?]:
None
SMILES [?]:
CCCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCN(C)C)Cl
InChi [?]:
InChI=1/C26H29ClN2O4/c1-4-5-14-32-19-9-6-8-17(15-19)23-22-24(30)20-16-18(27)10-11-21(20)33-25(22)26(31)29(23)13-7-12-28(2)3/h6,8-11,15-16,23H,4-5,7,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,32,2,3,8,28,9,7,19,20,29,27,4,11,17,10,18,6,16,21,13,12,14,23,24,33,30,26,15,25,5,22/E:(2,3)/rA:33cCCCCOCCCCCCCCCOCCCCCCOCCONCCCNCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s12s24;s26;s27;s28;s29;s30;s30;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29ClN2O4
All Atoms:62
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.4853
Area:734.883
Solvation:-4.88679
Coulombic:-48.0056
Bond Count [?]
All:36
Single:27
Double:9
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:468.972
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.52
LogP (Chemaxon):4.16

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