Chemical ID: 5307654

Cc1nc2c(c(cn2CCCN3CCOCC3)OC(=O)C)c4n1c5ccccc5n4
Chemical ID:
5307654
Name [?]:
None
SMILES [?]:
Cc1nc2c(c(cn2CCCN3CCOCC3)OC(=O)C)c4n1c5ccccc5n4
InChi [?]:
InChI=1/C22H25N5O3/c1-15-23-21-20(22-24-17-6-3-4-7-18(17)27(15)22)19(30-16(2)28)14-26(21)9-5-8-25-10-12-29-13-11-25/h3-4,6-7,14H,5,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,27,26,10,28,25,11,9,13,17,14,16,7,2,19,29,24,6,5,4,22,3,30,12,8,23,20,15,18/E:(10,11)(12,13)/rA:30nCCNCCCCNCCCNCCOCCOCOCCNCCCCCCN/rB:s1;d2;s3;d4;s5;d6;s4s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s6;s18;d19;s19;s5;s2s22;s23;s24;d25;s26;d27;d24s28;d22s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N5O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.3776
Area:631.131
Solvation:-4.40067
Coulombic:-53.8226
Bond Count [?]
All:34
Single:26
Double:8
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:407.466
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.19
LogP (Chemaxon):2.38

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