Chemical ID: 7697316

CCOc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)OC)S2
Chemical ID:
7697316
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)OC)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-3-24-16-10-6-14(7-11-16)20-19-21-18(22)17(25-19)12-13-4-8-15(23-2)9-5-13/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,18,22,6,8,19,21,5,9,16,17,7,20,4,15,13,11,10,12,14,23,3,25/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCCCCCNCNCOCCCCCCCCOCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:43
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:9.84801
Area:570.68
Solvation:-4.41899
Coulombic:-43.866
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.61
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