ChemDB: Chemical Search
Download
Chemical ID: 6004034
Chemical ID:
6004034
Name [?]:
2-acetamido-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-butanamide
SMILES [?]:
CC(C)C(C(=O)Nc1nnc(s1)c2ccccc2)NC(=O)C
InChi [?]:
InChI=1/C15H18N4O2S/c1-9(2)12(16-10(3)20)13(21)17-15-19-18-14(22-15)11-7-5-4-6-8-11/h4-9,12H,1-3H3,(H,16,20)(H,17,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,22,16,15,17,14,18,2,20,13,4,5,11,8,19,7,10,9,21,6,12/E:(1,2)(5,6)(7,8)/rA:22cCCCCCONCNNCSCCCCCCNCOC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s4;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N4O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.66845 |
Area: | 524.447 |
Solvation: | -3.44272 |
Coulombic: | -46.7565 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 318.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.82 |
LogP (Chemaxon): | 1.92 |
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 |
---|