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Chemical ID: 6152948
Chemical ID:
6152948
Name [?]:
N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)Cl)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C18H14Cl3N3O2S/c1-24-16(25)9-15(17(26)23-14-5-3-2-4-12(14)20)27-18(24)22-10-6-7-11(19)13(21)8-10/h2-8,15H,9H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,11,12,15,5,10,13,26,14,21,6,3,18,8,17,27,16,9,20,2,4,19,7/rA:27cCNCOCCSCNCCCCCCClClCONCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s13;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: | 12.194 |
Area: | 618.951 |
Solvation: | -3.27972 |
Coulombic: | -43.2867 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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