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Chemical ID: 6136145
Chemical ID:
6136145
Name [?]:
2-(3-chlorophenyl)imino-3-[(4-chlorophenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CNC(=O)C1CC(=O)N(C(=Nc2cccc(c2)Cl)S1)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17Cl2N3O2S/c1-22-18(26)16-10-17(25)24(11-12-5-7-13(20)8-6-12)19(27-16)23-15-4-2-3-14(21)9-15/h2-9,16H,10-11H2,1H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,14,15,13,22,26,23,25,17,6,20,21,24,16,12,5,7,3,10,27,18,2,11,9,8,4,19/E:(5,6)(7,8)/rA:27cCNCOCCCONCNCCCCCCClSCCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s16;s5s10;s9;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17Cl2N3O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7141 |
Area: | 603.67 |
Solvation: | -3.37766 |
Coulombic: | -44.1648 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 422.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.25 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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