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Chemical ID: 6153030
Chemical ID:
6153030
Name [?]:
N-(4-bromophenyl)-2-(3-chloro-4-methyl-phenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)N=C2N(C(=O)CC(S2)C(=O)Nc3ccc(cc3)Br)C
InChi [?]:
InChI=1/C19H17BrClN3O2S/c1-11-3-6-14(9-15(11)21)23-19-24(2)17(25)10-16(27-19)18(26)22-13-7-4-12(20)5-8-13/h3-9,16H,10H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,27,3,22,24,4,21,25,6,14,2,23,20,5,7,15,12,17,10,26,8,19,9,11,13,18,16/E:(4,5)(7,8)/rA:27cCCCCCCCClNCNCOCCSCONCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;s14;s10s15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17BrClN3O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8707 |
Area: | 608.545 |
Solvation: | -3.34296 |
Coulombic: | -42.3847 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 466.78 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.5 |
LogP (Chemaxon): | 5.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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