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Chemical ID: 6152882
Chemical ID:
6152882
Name [?]:
N-(3-chlorophenyl)-3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccccc2OC)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C20H20ClN3O3S/c1-3-24-18(25)12-17(19(26)22-14-8-6-7-13(21)11-14)28-20(24)23-15-9-4-5-10-16(15)27-2/h4-11,17H,3,12H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,18,2,13,14,24,25,23,12,15,27,6,26,22,11,16,7,4,19,9,28,21,10,3,5,20,17,8/rA:28cCCNCOCCSCNCCCCCCOCCONCCCCCCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20ClN3O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2978 |
Area: | 612.919 |
Solvation: | -5.02515 |
Coulombic: | -49.6619 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 417.91 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.82 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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