ChemDB: Chemical Search
Download
Chemical ID: 3856090
Chemical ID:
3856090
Name [?]:
N-[4-(4-methoxyphenyl)thiazol-2-yl]-N-(3-morpholinopropyl)thiophene-2-carboxamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)N(CCCN3CCOCC3)C(=O)c4cccs4
InChi [?]:
InChI=1/C22H25N3O3S2/c1-27-18-7-5-17(6-8-18)19-16-30-22(23-19)25(21(26)20-4-2-15-29-20)10-3-9-24-11-13-28-14-12-24/h2,4-8,15-16H,3,9-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,16,27,5,7,4,8,17,15,19,23,20,22,29,10,6,3,9,26,24,12,13,18,14,25,2,21,30,11/E:(5,6)(7,8)(11,12)(13,14)/rA:30nCOCCCCCCCCSCNNCCCNCCOCCCOCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s14;d24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N3O3S2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4413 |
Area: | 663.895 |
Solvation: | -5.15608 |
Coulombic: | -45.1368 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 443.584 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.72 |
LogP (Chemaxon): | 3.07 |
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 |
---|