ChemDB: Chemical Search
Download
Chemical ID: 6008744
Chemical ID:
6008744
Name [?]:
N-(cyclopropylmethyl)-3-methyl-N-(thiazol-2-ylcarbamoylmethyl)butanamide
SMILES [?]:
CC(C)CC(=O)N(CC1CC1)CC(=O)Nc2nccs2
InChi [?]:
InChI=1/C14H21N3O2S/c1-10(2)7-13(19)17(8-11-3-4-11)9-12(18)16-14-15-5-6-20-14/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,10,11,18,19,4,8,12,2,9,13,5,16,17,15,7,14,6,20/E:(1,2)(3,4)/rA:20nCCCCCONCCCCCCONCNCCS/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s9s10;s7;s12;d13;s13;s15;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N3O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76773 |
Area: | 514.429 |
Solvation: | -4.093 |
Coulombic: | -40.6066 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 295.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.23 |
LogP (Chemaxon): | 1.87 |
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 |
---|