Chemical ID: 4572712

CN(CCc1ccc(c(c1)OC)OC)c2c3c(c4cc(c(cc4[nH]3)OC)OC)ncn2
Chemical ID:
4572712
Name [?]:
None
SMILES [?]:
CN(CCc1ccc(c(c1)OC)OC)c2c3c(c4cc(c(cc4[nH]3)OC)OC)ncn2
InChi [?]:
InChI=1/C23H26N4O4/c1-27(9-8-14-6-7-17(28-2)18(10-14)29-3)23-22-21(24-13-25-23)15-11-19(30-4)20(31-5)12-16(15)26-22/h6-7,10-13,26H,8-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,14,12,28,26,6,7,4,3,10,19,22,30,5,18,23,8,9,20,21,17,16,15,29,31,24,2,13,11,27,25/rA:31nCNCCCCCCCCOCOCCCCCCCCCCNOCOCNCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8;s13;s2;s15;d16;s17;s18;d19;s20;d21;d18s22;s16s23;s21;s25;s20;s27;s17;d29;d15s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N4O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:7.6212
Area:658.029
Solvation:-8.82953
Coulombic:-56.8585
Bond Count [?]
All:34
Single:25
Double:9
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:422.477
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.26
LogP (Chemaxon):4.09

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