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Chemical ID: 6136604

c1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)Cc4ccc(cc4)F

Chemical ID:

6136604

Name [?]:

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

SMILES [?]:

c1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)Cc4ccc(cc4)F

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,6,19,20,3,5,18,27,31,28,30,22,11,25,26,21,29,4,17,10,12,8,15,23,32,7,16,14,13,9,24/E:(2,3)(6,7)(9,10)(11,12)/rA:32cCCCCCCNCOCCCONCNCCCCCCClSCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s10s15;s14;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:	12.0498
Area:	659.675
Solvation:	-4.44203
Coulombic:	-47.8188

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):	6.31

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