ChemDB: Chemical Search
Download
Chemical ID: 6152998
Chemical ID:
6152998
Name [?]:
3-methyl-4-oxo-N-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2cccc(c2)C(F)(F)F)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C19H16F3N3O2S/c1-25-16(26)11-15(17(27)23-13-7-3-2-4-8-13)28-18(25)24-14-9-5-6-12(10-14)19(20,21)22/h2-10,15H,11H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,12,13,24,28,11,15,5,14,23,10,6,3,20,8,16,17,18,19,22,9,2,4,21,7/E:(3,4)(7,8)(20,21,22)/rA:28cCNCOCCSCNCCCCCCCFFFCONCCCCCC/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s16;s16;s6;d20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16F3N3O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0092 |
Area: | 571.395 |
Solvation: | -4.27567 |
Coulombic: | -60.4849 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 407.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.78 |
LogP (Chemaxon): | 4.76 |
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 |
---|