ChemDB: Chemical Search
Download
Chemical ID: 6267103
Chemical ID:
6267103
Name [?]:
None
SMILES [?]:
CCn1c2c(cccc2sc1=NC(=O)c3cc4c5ccccc5ccc4oc3=O)OC
InChi [?]:
InChI=1/C24H18N2O4S/c1-3-26-21-19(29-2)9-6-10-20(21)31-24(26)25-22(27)17-13-16-15-8-5-4-7-14(15)11-12-18(16)30-23(17)28/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,21,20,7,22,19,6,8,24,25,16,23,18,17,15,26,5,9,4,13,28,11,12,3,14,29,30,27,10/rA:31nCCNCCCCCCSCNCOCCCCCCCCCCCCOCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;d15;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;d17s25;s26;s15s27;d28;s5;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18N2O4S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5566 |
Area: | 596.328 |
Solvation: | -4.35163 |
Coulombic: | -50.7469 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 430.477 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.12 |
LogP (Chemaxon): | 5.78 |
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 |
---|