Chemical ID: 4849410

CN1C(=O)CC(SC1=Nc2ccc(c(c2)C(F)(F)F)Cl)C(=O)Nc3cc(cc(c3)Cl)Cl
Chemical ID:
4849410
Name [?]:
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-N-(3,5-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2ccc(c(c2)C(F)(F)F)Cl)C(=O)Nc3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C19H13Cl3F3N3O2S/c1-28-16(29)8-15(17(30)26-12-5-9(20)4-10(21)6-12)31-18(28)27-11-2-3-14(22)13(7-11)19(23,24)25/h2-7,15H,8H2,1H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,11,12,27,25,29,15,5,26,28,10,24,14,13,6,3,21,8,16,31,30,20,17,18,19,23,9,2,4,22,7/E:(5,6)(9,10)(20,21)(23,24,25)/rA:31cCNCOCCSCNCCCCCCCFFFClCONCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s16;s16;s16;s13;s6;d21;s21;s23;s24;d25;s26;d27;d24s28;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13Cl3F3N3O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.2005
Area:666.755
Solvation:-4.46834
Coulombic:-59.4182
Bond Count [?]
All:33
Single:24
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:510.745
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.65
LogP (Chemaxon):6.31

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Descriptor Annotations

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