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Chemical ID: 4848332

Cc1ccc(cc1Cl)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)F)S2)Cc4ccccc4

Chemical ID:

4848332

Name [?]:

3-benzyl-N-(3-chloro-4-methyl-phenyl)-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide

SMILES [?]:

Cc1ccc(cc1Cl)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)F)S2)Cc4ccccc4

InChi [?]:

InChI=1/C25H21ClFN3O2S/c1-16-10-11-20(13-21(16)26)28-24(32)22-14-23(31)30(15-17-6-3-2-4-7-17)25(33-22)29-19-9-5-8-18(27)12-19/h2-13,22H,14-15H2,1H3,(H,28,32)

InChi Info:

AuxInfo=1/1/N:1,31,30,32,21,29,33,22,20,3,4,24,6,13,27,2,28,23,19,5,7,12,14,10,17,8,25,9,18,16,15,11,26/E:(3,4)(6,7)/rA:33cCCCCCCCClNCOCCCONCNCCCCCCFSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₁ClFN₃O₂S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	12.4637
Area:	677.701
Solvation:	-4.47886
Coulombic:	-47.3982

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	481.97
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.58
LogP (Chemaxon):	6.78

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value