ChemDB: Chemical Search
Download
Chemical ID: 7278485
Chemical ID:
7278485
Name [?]:
None
SMILES [?]:
Cc1csc(n1)NC(=O)Cc2coc3c2cc4c(c3)CCC4
InChi [?]:
InChI=1/C17H16N2O2S/c1-10-9-22-17(18-10)19-16(20)7-13-8-21-15-6-12-4-2-3-11(12)5-14(13)15/h5-6,8-9H,2-4,7H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,16,19,10,12,3,2,17,18,11,15,14,8,5,6,7,9,13,4/rA:22nCCCSCNNCOCCCOCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s18;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O2S |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64972 |
Area: | 501.685 |
Solvation: | -3.89241 |
Coulombic: | -31.2449 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 312.387 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.78 |
LogP (Chemaxon): | 4.05 |
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 |
---|