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Chemical ID: 6132613
Chemical ID:
6132613
Name [?]:
N-(3,5-dichlorophenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2cccc(c2)C(F)(F)F)C(=O)Nc3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C19H14Cl2F3N3O2S/c1-27-16(28)9-15(17(29)25-14-7-11(20)6-12(21)8-14)30-18(27)26-13-4-2-3-10(5-13)19(22,23)24/h2-8,15H,9H2,1H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,12,13,11,15,26,24,28,5,14,25,27,10,23,6,3,20,8,16,30,29,17,18,19,22,9,2,4,21,7/E:(7,8)(11,12)(20,21)(22,23,24)/rA:30cCNCOCCSCNCCCCCCCFFFCONCCCCCCClCl/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;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14Cl2F3N3O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7772 |
Area: | 641.564 |
Solvation: | -4.2619 |
Coulombic: | -60.3187 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 476.3 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.03 |
LogP (Chemaxon): | 5.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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