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Chemical ID: 6153126
Chemical ID:
6153126
Name [?]:
N-(2-chlorophenyl)-3-ethyl-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2cccc(c2)OC)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C20H20ClN3O3S/c1-3-24-18(25)12-17(19(26)23-16-10-5-4-9-15(16)21)28-20(24)22-13-7-6-8-14(11-13)27-2/h4-11,17H,3,12H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,18,2,25,24,13,12,14,26,23,16,6,11,15,27,22,7,4,19,9,28,10,21,3,5,20,17,8/rA:28cCCNCOCCSCNCCCCCCOCCONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s7;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20ClN3O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9762 |
Area: | 617.989 |
Solvation: | -4.47353 |
Coulombic: | -49.9041 |
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): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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