Chemical ID: 7666970

CCOC(=O)C1=C(OC2=C(C1c3cc(cs3)CN4CCOCC4)C(=O)CCC2)N
Chemical ID:
7666970
Name [?]:
None
SMILES [?]:
CCOC(=O)C1=C(OC2=C(C1c3cc(cs3)CN4CCOCC4)C(=O)CCC2)N
InChi [?]:
InChI=1/C21H26N2O5S/c1-2-27-21(25)19-18(17-14(24)4-3-5-15(17)28-20(19)22)16-10-13(12-29-16)11-23-6-8-26-9-7-23/h10,12,18H,2-9,11,22H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,27,26,28,19,23,20,22,13,17,15,14,24,9,12,10,11,6,7,4,29,18,25,5,21,3,8,16/E:(6,7)(8,9)/rA:29cCCOCOCCOCCCCCCCSCNCCOCCCOCCCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s6s10;s11;d12;s13;d14;s12s15;s14;s17;s18;s19;s20;s21;s18s22;s10;d24;s24;s26;s9s27;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O5S
All Atoms:55
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:9.33212
Area:587.939
Solvation:-5.36635
Coulombic:-62.1159
Bond Count [?]
All:32
Single:26
Double:6
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.71
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