Chemical ID: 6153010

Cc1ccc(cc1Cl)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)C(F)(F)F)S2)C
Chemical ID:
6153010
Name [?]:
N-(3-chloro-4-methyl-phenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)C(F)(F)F)S2)C
InChi [?]:
InChI=1/C20H17ClF3N3O2S/c1-11-6-7-14(9-15(11)21)25-18(29)16-10-17(28)27(2)19(30-16)26-13-5-3-4-12(8-13)20(22,23)24/h3-9,16H,10H2,1-2H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,30,21,22,20,3,4,24,6,13,2,23,19,5,7,12,14,10,17,25,8,26,27,28,9,18,16,15,11,29/E:(22,23,24)/rA:30cCCCCCCCClNCOCCCONCNCCCCCCCFFFSC/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;s25;s25;s25;s12s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClF3N3O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.4261
Area:625.045
Solvation:-4.20006
Coulombic:-60.477
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:455.882
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.63
LogP (Chemaxon):5.74

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Descriptor Annotations

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