Chemical ID: 7379821

Cc1ccccc1Cn2c(=O)c3c(nc4n3CCN4c5cccc(c5)OC)n(c2=O)C
Chemical ID:
7379821
Name [?]:
None
SMILES [?]:
Cc1ccccc1Cn2c(=O)c3c(nc4n3CCN4c5cccc(c5)OC)n(c2=O)C
InChi [?]:
InChI=1/C23H23N5O3/c1-15-7-4-5-8-16(15)14-28-21(29)19-20(25(2)23(28)30)24-22-26(11-12-27(19)22)17-9-6-10-18(13-17)31-3/h4-10,13H,11-12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,27,4,5,22,3,6,21,23,18,17,25,8,2,7,20,24,12,13,10,15,29,14,28,19,16,9,11,30,26/rA:31nCCCCCCCCNCOCCNCNCCNCCCCCCOCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s16;s17;s15s18;s19;s20;d21;s22;d23;d20s24;s24;s26;s13;s9s28;d29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23N5O3
All Atoms:54
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.2422
Area:618.408
Solvation:-4.21797
Coulombic:-63.5787
Bond Count [?]
All:35
Single:25
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:417.461
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.74
LogP (Chemaxon):4.63

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