Chemical ID: 6152959

CN1C(=O)CC(SC1=Nc2cc(cc(c2)Cl)Cl)C(=O)Nc3cc(cc(c3)Cl)Cl
Chemical ID:
6152959
Name [?]:
N-(3,5-dichlorophenyl)-2-(3,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2cc(cc(c2)Cl)Cl)C(=O)Nc3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C18H13Cl4N3O2S/c1-25-16(26)8-15(17(27)23-13-4-9(19)2-10(20)5-13)28-18(25)24-14-6-11(21)3-12(22)7-14/h2-7,15H,8H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,24,13,22,26,11,15,5,23,25,12,14,21,10,6,3,18,8,28,27,17,16,20,9,2,4,19,7/E:(4,5)(6,7)(9,10)(11,12)(19,20)(21,22)/rA:28cCNCOCCSCNCCCCCCClClCONCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s12;s6;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13Cl4N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.2286
Area:667.075
Solvation:-3.44831
Coulombic:-42.17
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:477.192
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.35
LogP (Chemaxon):5.95

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Descriptor Annotations

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