Chemical ID: 6153069

CN1C(=O)CC(SC1=Nc2cc(c(c(c2)Cl)O)Cl)C(=O)Nc3ccc(c(c3)Cl)Cl
Chemical ID:
6153069
Name [?]:
2-(3,5-dichloro-4-hydroxy-phenyl)imino-N-(3,4-dichlorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2cc(c(c(c2)Cl)O)Cl)C(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C18H13Cl4N3O3S/c1-25-15(26)7-14(17(28)23-8-2-3-10(19)11(20)4-8)29-18(25)24-9-5-12(21)16(27)13(22)6-9/h2-6,14,27H,7H2,1H3,(H,23,28)
InChi Info:
AuxInfo=1/1/N:1,23,24,27,11,15,5,22,10,25,26,12,14,6,3,13,19,8,29,28,18,16,21,9,2,4,17,20,7/E:(5,6)(12,13)(21,22)/rA:29cCNCOCCSCNCCCCCCClOClCONCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s13;s12;s6;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13Cl4N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.1018
Area:667.861
Solvation:-4.59468
Coulombic:-57.4502
Bond Count [?]
All:31
Single:22
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:493.191
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.94
LogP (Chemaxon):5.66

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Descriptor Annotations

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