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Chemical ID: 5551968
Chemical ID:
5551968
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)C
InChi [?]:
InChI=1/C19H17ClFN3O2S/c1-11-3-6-14(9-15(11)20)22-18(26)16-10-17(25)24(2)19(27-16)23-13-7-4-12(21)5-8-13/h3-9,16H,10H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,27,3,21,23,4,20,24,6,13,2,22,19,5,7,12,14,10,17,8,25,9,18,16,15,11,26/E:(4,5)(7,8)/rA:27cCCCCCCCClNCOCCCONCNCCCCCCFSC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s12s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClFN3O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.373 |
Area: | 586.911 |
Solvation: | -4.29974 |
Coulombic: | -45.3552 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 405.874 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.87 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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