Chemical ID: 6135981

CNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)Cl)S1)Cc3ccc(cc3)Cl
Chemical ID:
6135981
Name [?]:
2-(4-chlorophenyl)imino-3-[(4-chlorophenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)Cl)S1)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17Cl2N3O2S/c1-22-18(26)16-10-17(25)24(11-12-2-4-13(20)5-3-12)19(27-16)23-15-8-6-14(21)7-9-15/h2-9,16H,10-11H2,1H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,22,26,23,25,14,16,13,17,6,20,21,24,15,12,5,7,3,10,27,18,2,11,9,8,4,19/E:(2,3)(4,5)(6,7)(8,9)/rA:27cCNCOCCCONCNCCCCCCClSCCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s15;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:11.7238
Area:605.681
Solvation:-3.41817
Coulombic:-44.1462
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

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