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Chemical ID: 6153225
Chemical ID:
6153225
Name [?]:
N-(2-chlorophenyl)-3-ethyl-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2cccc(c2)F)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C19H17ClFN3O2S/c1-2-24-17(25)11-16(18(26)23-15-9-4-3-8-14(15)20)27-19(24)22-13-7-5-6-12(21)10-13/h3-10,16H,2,11H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,24,23,13,14,12,25,22,16,6,15,11,26,21,7,4,18,9,27,17,10,20,3,5,19,8/rA:27cCCNCOCCSCNCCCCCCFCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s7;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClFN3O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6591 |
Area: | 586.038 |
Solvation: | -3.99181 |
Coulombic: | -46.4128 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 405.874 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.07 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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