ChemDB: Chemical Search
Download
Chemical ID: 4779524
Chemical ID:
4779524
Name [?]:
N-(3-isopropoxyphenyl)thiadiazole-4-carboxamide
SMILES [?]:
CC(C)Oc1cccc(c1)NC(=O)c2csnn2
InChi [?]:
InChI=1/C12H13N3O2S/c1-8(2)17-10-5-3-4-9(6-10)13-12(16)11-7-18-15-14-11/h3-8H,1-2H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,3,7,8,6,10,15,2,9,5,14,12,11,18,17,13,4,16/E:(1,2)/rA:18nCCCOCCCCCCNCOCCSNN/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;d14;s15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13N3O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.45084 |
Area: | 453.496 |
Solvation: | -2.88657 |
Coulombic: | -31.1454 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.58 |
LogP (Chemaxon): | 2.01 |
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 |
---|