ChemDB: Chemical Search
Download
Chemical ID: 7656957
Chemical ID:
7656957
Name [?]:
None
SMILES [?]:
Cc1ccccc1c2nnc(s2)NC(=O)CCc3ccccc3
InChi [?]:
InChI=1/C18H17N3OS/c1-13-7-5-6-10-15(13)17-20-21-18(23-17)19-16(22)12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,4,5,3,19,23,6,17,16,2,18,7,14,8,11,13,9,10,15,12/E:(3,4)(8,9)/rA:23nCCCCCCCCNNCSNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3OS |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6238 |
Area: | 543.138 |
Solvation: | -2.95467 |
Coulombic: | -27.1427 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.6 |
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 |
---|