Chemical ID: 7402132

CN(C)CCCN1C(c2c(=O)c3ccc4ccccc4c3oc2C1=O)c5ccc(cc5)OC
Chemical ID:
7402132
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccc4ccccc4c3oc2C1=O)c5ccc(cc5)OC
InChi [?]:
InChI=1/C27H26N2O4/c1-28(2)15-6-16-29-23(18-9-12-19(32-3)13-10-18)22-24(30)21-14-11-17-7-4-5-8-20(17)25(21)33-26(22)27(29)31/h4-5,7-14,23H,6,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,33,17,18,5,16,19,27,31,14,28,30,13,4,6,15,26,29,20,12,9,8,10,21,23,24,2,7,11,25,32,22/E:(1,2)(9,10)(12,13)/rA:33cCNCCCCNCCCOCCCCCCCCCCOCCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s21;d9s22;s7s23;d24;s8;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26N2O4
All Atoms:59
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.3529
Area:654.817
Solvation:-5.01748
Coulombic:-48.3705
Bond Count [?]
All:37
Single:26
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:442.506
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.81
LogP (Chemaxon):3.44

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