ChemDB: Chemical Search
Download
Chemical ID: 6007195
Chemical ID:
6007195
Name [?]:
4-bromo-N-(3-ethoxypropyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCOCCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C18H22BrN3O3S/c1-3-25-10-4-9-22(17(24)14-5-7-15(19)8-6-14)11-16(23)21-18-20-13(2)12-26-18/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,17,2,5,21,25,22,24,6,4,8,15,14,20,23,9,18,12,26,13,11,7,10,19,3,16/E:(5,6)(7,8)/rA:26nCCOCCCNCCONCNCCSCCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s7;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22BrN3O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5614 |
Area: | 628.479 |
Solvation: | -5.15056 |
Coulombic: | -50.5562 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 440.356 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.82 |
LogP (Chemaxon): | 2.72 |
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 |
---|