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Chemical ID: 6135462

c1ccc(cc1)N=C2N(C(=O)CC(S2)C(=O)Nc3ccccc3Cl)Cc4ccc(cc4)F

Chemical ID:

6135462

Name [?]:

N-(2-chlorophenyl)-3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

SMILES [?]:

c1ccc(cc1)N=C2N(C(=O)CC(S2)C(=O)Nc3ccccc3Cl)Cc4ccc(cc4)F

InChi [?]:

InChI=1/C24H19ClFN3O2S/c25-19-8-4-5-9-20(19)28-23(31)21-14-22(30)29(15-16-10-12-17(26)13-11-16)24(32-21)27-18-6-2-1-3-7-18/h1-13,21H,14-15H2,(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,2,6,21,20,3,5,22,19,27,31,28,30,12,25,26,29,4,23,18,13,10,15,8,24,32,7,17,9,11,16,14/E:(2,3)(6,7)(10,11)(12,13)/rA:32cCCCCCCNCNCOCCSCONCCCCCCClCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;s8s13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s9;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉ClFN₃O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.2915
Area:	655.46
Solvation:	-4.09503
Coulombic:	-48.7756

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	467.944
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.35
LogP (Chemaxon):	5.66

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

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Chemical Mix	Source	External ID	Descriptor	Value