Chemical ID: 7658647

CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cc(cc4)OC)OC
Chemical ID:
7658647
Name [?]:
None
SMILES [?]:
CN1CCN(CC1)C2Cc3ccc(cc3Sc4c2cc(cc4)OC)OC
InChi [?]:
InChI=1/C21H26N2O2S/c1-22-8-10-23(11-9-22)19-12-15-4-5-17(25-3)14-21(15)26-20-7-6-16(24-2)13-18(19)20/h4-7,13-14,19H,8-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,26,11,12,21,22,3,7,4,6,9,19,14,10,20,13,18,8,17,15,2,5,23,25,16/E:(8,9)(10,11)/rA:26cCNCCNCCCCCCCCCCSCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;d18;s19;d20;d17s21;s20;s23;s13;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O2S
All Atoms:52
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:9.62553
Area:557.354
Solvation:-4.30831
Coulombic:-25.7502
Bond Count [?]
All:29
Single:23
Double:6
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.39
LogP (Chemaxon):None

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