ChemDB: Chemical Search
Download
Chemical ID: 7723474
Chemical ID:
7723474
Name [?]:
None
SMILES [?]:
CCn1c2c(ccc(c2sc1=NC(=O)c3ccc(c(c3)OC)OC)C)OC
InChi [?]:
InChI=1/C20H22N2O4S/c1-6-22-17-15(25-4)9-7-12(2)18(17)27-20(22)21-19(23)13-8-10-14(24-3)16(11-13)26-5/h7-11H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,25,24,27,22,2,7,16,6,17,20,8,15,18,5,19,4,9,13,11,12,3,14,23,26,21,10/rA:27nCCNCCCCCCSCNCOCCCCCCOCOCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s8;s5;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O4S |
All Atoms: | 49 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.6837 |
Area: | 584.783 |
Solvation: | -5.93588 |
Coulombic: | -45.7857 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.97 |
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 |
---|