Chemical ID: 5773992

CC(C)COc1ccc(cc1)c2nc(c3c4c(sc3n2)CCCC4)O
Chemical ID:
5773992
Name [?]:
None
SMILES [?]:
CC(C)COc1ccc(cc1)c2nc(c3c4c(sc3n2)CCCC4)O
InChi [?]:
InChI=1/C20H22N2O2S/c1-12(2)11-24-14-9-7-13(8-10-14)18-21-19(23)17-15-5-3-4-6-16(15)25-20(17)22-18/h7-10,12H,3-6,11H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,24,21,8,10,7,11,4,2,9,6,16,17,15,12,14,19,13,20,25,5,18/E:(1,2)(7,8)(9,10)/rA:25nCCCCOCCCCCCCNCCCCSCNCCCCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;s15;d16;s17;d15s18;d12s19;s17;s21;s22;s16s23;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3329
Area:565.939
Solvation:-2.81555
Coulombic:-38.1945
Bond Count [?]
All:28
Single:21
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:354.467
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.31
LogP (Chemaxon):5.63

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