Chemical ID: 7079232

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4)CCCN5CCOCC5
Chemical ID:
7079232
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4)CCCN5CCOCC5
InChi [?]:
InChI=1/C25H26N2O4/c1-17-8-9-20-19(16-17)23(28)21-22(18-6-3-2-4-7-18)27(25(29)24(21)31-20)11-5-10-26-12-14-30-15-13-26/h2-4,6-9,16,22H,5,10-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,24,18,22,3,4,25,23,27,31,28,30,7,2,17,6,5,10,16,8,11,13,26,15,9,14,29,12/E:(3,4)(6,7)(12,13)(14,15)/rA:31cCCCCCCCCOCCOCONCCCCCCCCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s15;s23;s24;s25;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H26N2O4
All Atoms:57
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.4888
Area:612.413
Solvation:-4.82151
Coulombic:-48.9395
Bond Count [?]
All:35
Single:26
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:418.485
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.67
LogP (Chemaxon):2.81

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