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Chemical ID: 6152890
Chemical ID:
6152890
Name [?]:
N-(3,5-dichlorophenyl)-3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccccc2OC)C(=O)Nc3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C20H19Cl2N3O3S/c1-3-25-18(26)11-17(19(27)23-14-9-12(21)8-13(22)10-14)29-20(25)24-15-6-4-5-7-16(15)28-2/h4-10,17H,3,11H2,1-2H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,18,2,13,14,12,15,25,23,27,6,24,26,22,11,16,7,4,19,9,29,28,21,10,3,5,20,17,8/E:(9,10)(12,13)(21,22)/rA:29cCCNCOCCSCNCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s16;s17;s7;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19Cl2N3O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1597 |
Area: | 647.019 |
Solvation: | -5.01581 |
Coulombic: | -49.4627 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 452.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.44 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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