ChemDB: Chemical Search
Download
Chemical ID: 6008972
Chemical ID:
6008972
Name [?]:
4-ethyl-N-(3-methoxypropyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CCCOC)CC(=O)Nc2nc(cs2)C
InChi [?]:
InChI=1/C19H25N3O3S/c1-4-15-6-8-16(9-7-15)18(24)22(10-5-11-25-3)12-17(23)21-19-20-14(2)13-26-19/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,16,2,13,4,8,5,7,12,14,17,24,23,3,6,18,9,21,22,20,11,19,10,15,25/E:(6,7)(8,9)/rA:26nCCCCCCCCCONCCCOCCCONCNCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s11;s17;d18;s18;s20;d21;s22;d23;s21s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2147 |
Area: | 619.072 |
Solvation: | -5.26212 |
Coulombic: | -50.8089 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 375.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.5 |
LogP (Chemaxon): | 2.45 |
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 |
---|