ChemDB: Chemical Search
Download
Chemical ID: 3891143
Chemical ID:
3891143
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]-N-(3-dimethylaminopropyl)furan-2-carboxamide
SMILES [?]:
CN(C)CCCN(c1nc(cs1)c2ccc(cc2)Cl)C(=O)c3ccco3
InChi [?]:
InChI=1/C19H20ClN3O2S/c1-22(2)10-4-11-23(18(24)17-5-3-12-25-17)19-21-16(13-26-19)14-6-8-15(20)9-7-14/h3,5-9,12-13H,4,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,24,5,23,14,18,15,17,4,6,25,11,13,16,10,22,20,8,19,9,2,7,21,26,12/E:(1,2)(6,7)(8,9)/rA:26nCNCCCCNCNCCSCCCCCCClCOCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s16;s7;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClN3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.767 |
Area: | 601.446 |
Solvation: | -3.2691 |
Coulombic: | -37.9029 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 389.9 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.71 |
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 |
---|