Chemical ID: 7723474

CCn1c2c(ccc(c2sc1=NC(=O)c3ccc(c(c3)OC)OC)C)OC
Chemical ID:
7723474
Name [?]:
None
SMILES [?]:
CCn1c2c(ccc(c2sc1=NC(=O)c3ccc(c(c3)OC)OC)C)OC
InChi [?]:
InChI=1/C20H22N2O4S/c1-6-22-17-15(25-4)9-7-12(2)18(17)27-20(22)21-19(23)13-8-10-14(24-3)16(11-13)26-5/h7-11H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,25,24,27,22,2,7,16,6,17,20,8,15,18,5,19,4,9,13,11,12,3,14,23,26,21,10/rA:27nCCNCCCCCCSCNCOCCCCCCOCOCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s8;s5;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O4S
All Atoms:49
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:8.6837
Area:584.783
Solvation:-5.93588
Coulombic:-45.7857
Bond Count [?]
All:29
Single:21
Double:8
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.97
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