Chemical ID: 6152968

CN1C(=O)CC(SC1=Nc2cc(cc(c2)Cl)Cl)C(=O)Nc3ccccc3Cl
Chemical ID:
6152968
Name [?]:
N-(2-chlorophenyl)-2-(3,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2cc(cc(c2)Cl)Cl)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C18H14Cl3N3O2S/c1-24-16(25)9-15(17(26)23-14-5-3-2-4-13(14)21)27-18(24)22-12-7-10(19)6-11(20)8-12/h2-8,15H,9H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,13,11,15,5,12,14,10,26,21,6,3,18,8,17,16,27,9,20,2,4,19,7/E:(7,8)(10,11)(19,20)/rA:27cCNCOCCSCNCCCCCCClClCONCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s12;s6;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl3N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.4631
Area:626.295
Solvation:-3.19427
Coulombic:-43.1077
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:442.747
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.73
LogP (Chemaxon):4.78

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Descriptor Annotations

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