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Chemical ID: 4846093
Chemical ID:
4846093
Name [?]:
2-(3,5-dichlorophenyl)imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2cc(cc(c2)Cl)Cl)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C18H15Cl2N3O2S/c1-23-16(24)10-15(17(25)21-13-5-3-2-4-6-13)26-18(23)22-14-8-11(19)7-12(20)9-14/h2-9,15H,10H2,1H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,13,11,15,5,12,14,21,10,6,3,18,8,17,16,20,9,2,4,19,7/E:(3,4)(5,6)(8,9)(11,12)(19,20)/rA:26cCNCOCCSCNCCCCCCClClCONCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15Cl2N3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.473 |
Area: | 596.898 |
Solvation: | -3.4494 |
Coulombic: | -42.3323 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 408.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.1 |
LogP (Chemaxon): | 4.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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