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Chemical ID: 6152751
Chemical ID:
6152751
Name [?]:
3-ethyl-N-(4-fluorophenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(cc2)OC)C(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C20H20FN3O3S/c1-3-24-18(25)12-17(19(26)22-14-6-4-13(21)5-7-14)28-20(24)23-15-8-10-16(27-2)11-9-15/h4-11,17H,3,12H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,18,2,24,26,23,27,12,16,13,15,6,25,22,11,14,7,4,19,9,28,21,10,3,5,20,17,8/E:(4,5)(6,7)(8,9)(10,11)/rA:28cCCNCOCCSCNCCCCCCOCCONCCCCCCF/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s17;s7;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20FN3O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.27851 |
Area: | 594.708 |
Solvation: | -5.58919 |
Coulombic: | -51.8674 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 401.456 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.36 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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