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Chemical ID: 6135447
Chemical ID:
6135447
Name [?]:
N-(3,5-dichlorophenyl)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)CC(S2)C(=O)Nc3cc(cc(c3)Cl)Cl)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C24H18Cl2FN3O2S/c25-16-10-17(26)12-20(11-16)28-23(32)21-13-22(31)30(14-15-6-8-18(27)9-7-15)24(33-21)29-19-4-2-1-3-5-19/h1-12,21H,13-14H2,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,28,32,29,31,21,19,23,12,26,27,20,22,30,4,18,13,10,15,8,25,24,33,17,7,9,11,16,14/E:(2,3)(4,5)(6,7)(8,9)(11,12)(16,17)(25,26)/rA:33cCCCCCCNCNCOCCSCONCCCCCCClClCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;s8s13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s20;s9;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18Cl2FN3O2S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0471 |
Area: | 695.397 |
Solvation: | -4.33785 |
Coulombic: | -47.8815 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 502.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.97 |
LogP (Chemaxon): | 6.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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