Chemical ID: 7723492

Cc1ccc(c2c1n(c(=NC(=O)c3cc4ccccc4oc3=O)s2)C)C
Chemical ID:
7723492
Name [?]:
None
SMILES [?]:
Cc1ccc(c2c1n(c(=NC(=O)c3cc4ccccc4oc3=O)s2)C)C
InChi [?]:
InChI=1/C20H16N2O3S/c1-11-8-9-12(2)17-16(11)22(3)20(26-17)21-18(23)14-10-13-6-4-5-7-15(13)25-19(14)24/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,25,17,18,16,19,3,4,14,2,5,15,13,20,7,6,11,22,9,10,8,12,23,21,24/rA:26nCCCCCCCNCNCOCCCCCCCCOCOSCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;d11;s11;d13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;d22;s6s9;s8;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O3S
All Atoms:42
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.1462
Area:546.277
Solvation:-3.51077
Coulombic:-42.5032
Bond Count [?]
All:29
Single:19
Double:10
Rotors:2
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