ChemDB: Chemical Search
Download
Chemical ID: 5940774
Chemical ID:
5940774
Name [?]:
N-(3-methoxypropyl)-2-[(3-methoxypropyl-(3,5,5-trimethylhexanoyl)amino)methyl]thiazole-4-carboxamide
SMILES [?]:
CC(CC(=O)N(CCCOC)Cc1nc(cs1)C(=O)NCCCOC)CC(C)(C)C
InChi [?]:
InChI=1/C22H39N3O4S/c1-17(14-22(2,3)4)13-20(26)25(10-8-12-29-6)15-19-24-18(16-30-19)21(27)23-9-7-11-28-5/h16-17H,7-15H2,1-6H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,28,29,30,25,11,22,8,21,7,23,9,3,26,12,16,2,15,13,4,18,27,20,14,6,5,19,24,10,17/E:(2,3,4)/rA:30cCCCCONCCCOCCCNCCSCONCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s6;s12;d13;s14;d15;s13s16;s15;d18;s18;s20;s21;s22;s23;s24;s2;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H39N3O4S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7978 |
Area: | 751.553 |
Solvation: | -5.99104 |
Coulombic: | -60.174 |
Bond Count [?]
All: | 30 |
Single: | 26 |
Double: | 4 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 441.629 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.41 |
LogP (Chemaxon): | 1.83 |
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 |
---|