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Chemical ID: 6135335
Chemical ID:
6135335
Name [?]:
2-(4-fluorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(cc1)CCN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)N
InChi [?]:
InChI=1/C19H18FN3O2S/c20-14-6-8-15(9-7-14)22-19-23(11-10-13-4-2-1-3-5-13)17(24)12-16(26-19)18(21)25/h1-9,16H,10-12H2,(H2,21,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,21,18,22,7,8,12,4,20,17,13,10,24,15,23,26,16,9,11,25,14/E:(2,3)(4,5)(6,7)(8,9)/rA:26cCCCCCCCCNCOCCSCNCCCCCCFCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s9s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s13;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18FN3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.1183 |
Area: | 541.146 |
Solvation: | -4.41034 |
Coulombic: | -50.9592 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 371.43 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.8 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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