ChemDB: Chemical Search
Download
Chemical ID: 5176532
Chemical ID:
5176532
Name [?]:
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-norbornan-2-yl-acetamide
SMILES [?]:
CC(C)c1nnc(s1)NC(=O)CC2CC3CCC2C3
InChi [?]:
InChI=1/C14H21N3OS/c1-8(2)13-16-17-14(19-13)15-12(18)7-11-6-9-3-4-10(11)5-9/h8-11H,3-7H2,1-2H3,(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,19,14,12,2,15,18,13,10,4,7,9,5,6,11,8/E:(1,2)/rA:19cCCCCNNCSNCOCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N3OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.29725 |
Area: | 474.848 |
Solvation: | -2.57395 |
Coulombic: | -24.5632 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.14 |
LogP (Chemaxon): | 2.57 |
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 |
---|