ChemDB: Chemical Search
Download
Chemical ID: 5580759
Chemical ID:
5580759
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-(tetrahydrofuran-2-ylmethoxy)benzamide
SMILES [?]:
COc1ccc(c(c1)c2csc(n2)NC(=O)c3ccc(cc3)OCC4CCCO4)OC
InChi [?]:
InChI=1/C23H24N2O5S/c1-27-17-9-10-21(28-2)19(12-17)20-14-31-23(24-20)25-22(26)15-5-7-16(8-6-15)30-13-18-4-3-11-29-18/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,31,27,26,18,22,19,21,4,5,28,8,24,10,17,20,3,25,7,9,6,15,12,13,14,16,2,30,29,23,11/E:(5,6)(7,8)/rA:31cCOCCCCCCCCSCNNCOCCCCCCOCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;s26;s27;s25s28;s6;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O5S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.40973 |
Area: | 679.331 |
Solvation: | -8.57355 |
Coulombic: | -54.9705 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 440.513 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.92 |
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 |
---|