Chemical ID: 5551978

Cc1ccc(cc1Cl)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)F)S2)C
Chemical ID:
5551978
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)F)S2)C
InChi [?]:
InChI=1/C19H17ClFN3O2S/c1-11-6-7-14(9-15(11)20)22-18(26)16-10-17(25)24(2)19(27-16)23-13-5-3-4-12(21)8-13/h3-9,16H,10H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,27,21,22,20,3,4,24,6,13,2,23,19,5,7,12,14,10,17,8,25,9,18,16,15,11,26/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;s23;s12s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClFN3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.476
Area:586.873
Solvation:-4.19587
Coulombic:-45.4476
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

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