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Chemical ID: 6136068

Cc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)CCc4ccc(cc4)OC

Chemical ID:

6136068

Name [?]:

2-(3-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-N-(m-tolyl)-4-oxo-1,3-thiazinane-6-carboxamide

SMILES [?]:

Cc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)CCc4ccc(cc4)OC

InChi [?]:

InChI=1/C27H26ClN3O3S/c1-18-5-3-7-21(15-18)29-26(33)24-17-25(32)31(14-13-19-9-11-23(34-2)12-10-19)27(35-24)30-22-8-4-6-20(28)16-22/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,35,4,20,3,21,5,19,29,33,30,32,27,26,7,23,12,2,28,22,6,18,31,11,13,9,16,24,8,17,15,14,10,34,25/E:(9,10)(11,12)/rA:35cCCCCCCCNCOCCCONCNCCCCCCClSCCCCCCCCOC/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;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₆ClN₃O₃S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	13.2823
Area:	733.631
Solvation:	-5.05852
Coulombic:	-50.9169

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	508.032
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.7
LogP (Chemaxon):	6.63

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value