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Chemical ID: 6136006

Cc1ccc(cc1Cl)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)CCc4ccccc4

Chemical ID:

6136006

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1Cl)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)CCc4ccccc4

InChi [?]:

InChI=1/C26H23Cl2N3O2S/c1-17-10-11-21(15-22(17)28)29-25(33)23-16-24(32)31(13-12-18-6-3-2-4-7-18)26(34-23)30-20-9-5-8-19(27)14-20/h2-11,14-15,23H,12-13,16H2,1H3,(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,32,31,33,21,30,34,22,20,3,4,28,27,24,6,13,2,29,23,19,5,7,12,14,10,17,25,8,9,18,16,15,11,26/E:(3,4)(6,7)/rA:34cCCCCCCCClNCOCCCONCNCCCCCCClSCCCCCCCC/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;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃Cl₂N₃O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	14.5156
Area:	724.562
Solvation:	-3.59845
Coulombic:	-44.911

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	512.451
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.2
LogP (Chemaxon):	7.41

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