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Chemical ID: 6135736
Chemical ID:
6135736
Name [?]:
N-(2-chlorophenyl)-2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)Cc4ccc(cc4)F)Cl
InChi [?]:
InChI=1/C24H18ClF2N3O2S/c25-19-3-1-2-4-20(19)29-23(32)21-13-22(31)30(14-15-5-7-16(26)8-6-15)24(33-21)28-18-11-9-17(27)10-12-18/h1-12,21H,13-14H2,(H,29,32)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,27,31,28,30,19,21,18,22,11,25,26,29,20,17,4,5,10,12,8,15,33,32,23,16,7,14,13,9,24/E:(5,6)(7,8)(9,10)(11,12)/rA:33cCCCCCCNCOCCCONCNCCCCCCFSCCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s10s15;s14;s25;s26;d27;s28;d29;d26s30;s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18ClF2N3O2S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4147 |
Area: | 662.126 |
Solvation: | -5.13848 |
Coulombic: | -51.2177 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 485.934 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.51 |
LogP (Chemaxon): | 5.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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