ChemDB: Chemical Search
Download
Chemical ID: 7660672
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|