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Chemical ID: 6153069
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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