ChemDB: Chemical Search
Download
Chemical ID: 6004316
Chemical ID:
6004316
Name [?]:
3-chloro-N-[1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl]benzamide
SMILES [?]:
CC(C(=O)Nc1nnc(s1)c2ccccc2)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C18H15ClN4O2S/c1-11(20-16(25)13-8-5-9-14(19)10-13)15(24)21-18-23-22-17(26-18)12-6-3-2-4-7-12/h2-11H,1H3,(H,20,25)(H,21,23,24)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,22,12,16,21,23,25,2,11,20,24,3,18,9,6,26,17,5,8,7,4,19,10/E:(3,4)(6,7)/rA:26cCCCONCNNCSCCCCCCNCOCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s2;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN4O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8945 |
Area: | 614.098 |
Solvation: | -3.45799 |
Coulombic: | -49.7023 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.856 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.3 |
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 |
---|