ChemDB: Chemical Search
Download
Chemical ID: 7325339
Chemical ID:
7325339
Name [?]:
N-(isopropylcarbamoyl)-2-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(o2)SCC(=O)NC(=O)NC(C)C
InChi [?]:
InChI=1/C15H18N4O3S/c1-9(2)16-14(21)17-12(20)8-23-15-19-18-13(22-15)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H2,16,17,20,21)
InChi Info:
AuxInfo=1/1/N:22,23,1,3,7,4,6,14,21,2,5,15,8,18,11,20,17,9,10,16,19,12,13/E:(1,2)(4,5)(6,7)/rA:23nCCCCCCCCNNCOSCCONCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;s14;d15;s15;s17;d18;s18;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N4O3S |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82875 |
Area: | 565.198 |
Solvation: | -4.30121 |
Coulombic: | -56.5763 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 334.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.96 |
LogP (Chemaxon): | 2.02 |
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 |
---|