Chemical ID: 7429038

Cc1ccccc1N2CCCn3c2nc4c3c(=O)n(c(=O)n4C)CC=C
Chemical ID:
7429038
Name [?]:
None
SMILES [?]:
Cc1ccccc1N2CCCn3c2nc4c3c(=O)n(c(=O)n4C)CC=C
InChi [?]:
InChI=1/C19H21N5O2/c1-4-10-24-17(25)15-16(21(3)19(24)26)20-18-22(11-7-12-23(15)18)14-9-6-5-8-13(14)2/h4-6,8-9H,1,7,10-12H2,2-3H3
InChi Info:
AuxInfo=1/0/N:26,1,23,25,4,5,10,3,6,24,9,11,2,7,16,15,17,13,20,14,22,8,12,19,18,21/rA:26nCCCCCCCNCCCNCNCCCONCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s8s12;d13;s14;s12d15;s16;d17;s17;s19;d20;s15s20;s22;s19;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N5O2
All Atoms:47
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0974
Area:536.604
Solvation:-2.31767
Coulombic:-57.5998
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:351.403
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.88
LogP (Chemaxon):3.9

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