ChemDB: Chemical Search
Download
Chemical ID: 6506851
Chemical ID:
6506851
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(c3c(c(sc3N2)C(=O)c4ccccc4)N)c5ccc(cc5)F)C(=O)C1)C
InChi [?]:
InChI=1/C26H23FN2O2S/c1-26(2)12-17-20(18(30)13-26)19(14-8-10-16(27)11-9-14)21-22(28)24(32-25(21)29-17)23(31)15-6-4-3-5-7-15/h3-11,19,29H,12-13,28H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,18,17,19,16,20,23,27,24,26,3,31,22,15,25,4,29,6,5,7,8,13,9,11,2,28,21,12,30,14,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:32cCCCCCCCCCSCNCOCCCCCCNCCCCCCFCOCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d7s10;s4s11;s9;d13;s13;s15;d16;s17;d18;d15s19;s8;s6;s22;d23;s24;d25;d22s26;s25;s5;d29;s2s29;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23FN2O2S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4166 |
Area: | 607.53 |
Solvation: | -3.77168 |
Coulombic: | -50.4626 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 446.538 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 5.16 |
LogP (Chemaxon): | 4.7 |
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 |
---|