ChemDB: Chemical Search
Download
Chemical ID: 6936243
Chemical ID:
6936243
Name [?]:
3-dimethylamino-N-(6-methylbenzothiazol-2-yl)-benzamide
SMILES [?]:
Cc1ccc2c(c1)sc(n2)NC(=O)c3cccc(c3)N(C)C
InChi [?]:
InChI=1/C17H17N3OS/c1-11-7-8-14-15(9-11)22-17(18-14)19-16(21)12-5-4-6-13(10-12)20(2)3/h4-10H,1-3H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,21,22,16,15,17,3,4,7,19,2,14,18,5,6,12,9,10,11,20,13,8/E:(2,3)/rA:22nCCCCCCCSCNNCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3OS |
All Atoms: | 39 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1489 |
Area: | 518.971 |
Solvation: | -2.82539 |
Coulombic: | -34.1912 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.55 |
LogP (Chemaxon): | 4.87 |
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 |
---|