Chemical ID: 6153030

Cc1ccc(cc1Cl)N=C2N(C(=O)CC(S2)C(=O)Nc3ccc(cc3)Br)C
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

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