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Chemical ID: 4848432
Chemical ID:
4848432
Name [?]:
3-benzyl-N-(4-fluorophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccccc3)C(=O)Nc4ccc(cc4)F
InChi [?]:
InChI=1/C24H20FN3O2S/c25-18-11-13-20(14-12-18)26-23(30)21-15-22(29)28(16-17-7-3-1-4-8-17)24(31-21)27-19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,19,2,6,18,20,3,5,17,21,27,29,26,30,11,7,4,28,16,25,12,9,22,14,31,24,15,8,10,23,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:31cCCCCCCCNCOCCSCNCCCCCCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s8s13;w14;s15;s16;d17;s18;d19;d16s20;s12;d22;s22;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20FN3O2S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2016 |
Area: | 626.537 |
Solvation: | -4.46187 |
Coulombic: | -47.7284 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 433.499 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.73 |
LogP (Chemaxon): | 5.79 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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