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Chemical ID: 6136615
Chemical ID:
6136615
Name [?]:
2-(3-chlorophenyl)imino-N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C26H23ClFN3O2S/c1-16-6-11-22(17(2)12-16)30-25(33)23-14-24(32)31(15-18-7-9-20(28)10-8-18)26(34-23)29-21-5-3-4-19(27)13-21/h3-13,23H,14-15H2,1-2H3,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,8,21,22,20,3,29,33,30,32,4,7,24,13,27,2,6,28,23,31,19,5,12,14,10,17,25,34,18,9,16,15,11,26/E:(7,8)(9,10)/rA:34cCCCCCCCCNCOCCCONCNCCCCCCClSCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;s12s17;s16;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23ClFN3O2S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.1137 |
Area: | 702.962 |
Solvation: | -4.46031 |
Coulombic: | -47.4594 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 495.997 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.01 |
LogP (Chemaxon): | 6.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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