ChemDB: Chemical Search
Download
Chemical ID: 7712596
Chemical ID:
7712596
Name [?]:
None
SMILES [?]:
Cc1c(sc(n1)NC(=O)c2ccccc2)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H16N2O3S/c1-12-17(16(22)13-8-10-15(24-2)11-9-13)25-19(20-12)21-18(23)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,13,12,14,11,15,19,23,20,22,2,18,10,21,16,3,8,5,6,7,17,9,24,4/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCSCNNCOCCCCCCCOCCCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s3;d16;s16;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O3S |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.52971 |
Area: | 557.139 |
Solvation: | -4.39878 |
Coulombic: | -43.7186 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.17 |
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 |
---|