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Chemical ID: 6136012

Cc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)CCc4ccccc4

Chemical ID:

6136012

Name [?]:

2-(3-chlorophenyl)imino-N-(m-tolyl)-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide

SMILES [?]:

Cc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)CCc4ccccc4

InChi [?]:

InChI=1/C26H24ClN3O2S/c1-18-7-5-11-21(15-18)28-25(32)23-17-24(31)30(14-13-19-8-3-2-4-9-19)26(33-23)29-22-12-6-10-20(27)16-22/h2-12,15-16,23H,13-14,17H2,1H3,(H,28,32)

InChi Info:

AuxInfo=1/1/N:1,31,30,32,4,20,3,29,33,21,5,19,27,26,7,23,12,2,28,22,6,18,11,13,9,16,24,8,17,15,14,10,25/E:(3,4)(8,9)/rA:33cCCCCCCCNCOCCCONCNCCCCCCClSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s11s16;s15;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄ClN₃O₂S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	13.7294
Area:	695.441
Solvation:	-3.65658
Coulombic:	-44.7244

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	478.006
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.79
LogP (Chemaxon):	6.89

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