Chemical ID: 7660672

Cc1nnc(s1)SCC2=C(N3C(C(C3=O)NC(=O)c4ccc(cc4)Cl)SC2)C(=O)O
Chemical ID:
7660672
Name [?]:
None
SMILES [?]:
Cc1nnc(s1)SCC2=C(N3C(C(C3=O)NC(=O)c4ccc(cc4)Cl)SC2)C(=O)O
InChi [?]:
InChI=1/C18H15ClN4O4S3/c1-8-21-22-18(30-8)29-7-10-6-28-16-12(15(25)23(16)13(10)17(26)27)20-14(24)9-2-4-11(19)5-3-9/h2-5,12,16H,6-7H2,1H3,(H,20,24)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,20,24,21,23,27,8,2,19,9,22,13,10,17,14,12,28,5,25,16,3,4,11,18,15,29,30,26,7,6/E:(2,3)(4,5)(26,27)/rA:30cCCNNCSSCCCNCCCONCOCCCCCCClSCCOO/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;d9;s10;s11;s12;s11s13;d14;s13;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s12;s9s26;s10;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN4O4S3
All Atoms:45
Heavy Atoms:30
Chiral Atoms:None
ZAP Information [?]
Total:12.1779
Area:686.012
Solvation:-4.9724
Coulombic:-71.3493
Bond Count [?]
All:33
Single:24
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.95
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