Chemical ID: 7393690

Cc1ccc(cc1C)N2CCn3c2nc4c3c(=O)n(c(=O)n4C)CCC(C)C
Chemical ID:
7393690
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)N2CCn3c2nc4c3c(=O)n(c(=O)n4C)CCC(C)C
InChi [?]:
InChI=1/C21H27N5O2/c1-13(2)8-9-26-19(27)17-18(23(5)21(26)28)22-20-24(10-11-25(17)20)16-7-6-14(3)15(4)12-16/h6-7,12-13H,8-11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:27,28,1,8,23,3,4,25,24,10,11,6,26,2,7,5,16,15,17,13,20,14,22,9,12,19,18,21/E:(1,2)/rA:28nCCCCCCCCNCCNCNCCCONCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;s9s12;d13;s14;s12d15;s16;d17;s17;s19;d20;s15s20;s22;s19;s24;s25;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N5O2
All Atoms:55
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4621
Area:595.642
Solvation:-2.42893
Coulombic:-56.6106
Bond Count [?]
All:31
Single:24
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:381.472
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.41
LogP (Chemaxon):5.11

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