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Chemical ID: 6136469

c1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4)Cl

Chemical ID:

6136469

Name [?]:

3-benzyl-N-(4-chlorophenyl)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide

SMILES [?]:

c1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4)Cl

InChi [?]:

InChI=1/C24H19Cl2N3O2S/c25-17-6-10-19(11-7-17)27-23(31)21-14-22(30)29(15-16-4-2-1-3-5-16)24(32-21)28-20-12-8-18(26)9-13-20/h1-13,21H,14-15H2,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,28,30,18,20,27,31,17,21,11,7,4,29,19,26,16,12,9,23,14,32,22,25,15,8,10,24,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:32cCCCCCCCNCOCCSCNCCCCCCClCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s8s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s12;d23;s23;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉Cl₂N₃O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	13.5463
Area:	690.241
Solvation:	-3.70972
Coulombic:	-44.7197

Bond Count [?]

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

Chemical Properties

Molecular Weight:	484.398
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.81
LogP (Chemaxon):	6.69

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