ChemDB: Chemical Search
Download
Chemical ID: 6004542
Chemical ID:
6004542
Name [?]:
3,3-dimethyl-N-[2-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]butanamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)CCNC(=O)CC(C)(C)C
InChi [?]:
InChI=1/C18H24N4O2S/c1-12-6-5-7-13(10-12)16-21-22-17(25-16)20-14(23)8-9-19-15(24)11-18(2,3)4/h5-7,10H,8-9,11H2,1-4H3,(H,19,24)(H,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,25,4,3,5,16,17,7,21,2,6,14,19,8,11,22,18,13,9,10,15,20,12/E:(2,3,4)/rA:25nCCCCCCCCNNCSNCOCCNCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s18;d19;s19;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N4O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9927 |
Area: | 606.397 |
Solvation: | -4.16723 |
Coulombic: | -45.3025 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 360.475 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.17 |
LogP (Chemaxon): | 2.95 |
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 |
---|