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Chemical ID: 6135121

Cc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3ccccc3)S2)CCc4ccc(cc4)OC

Chemical ID:

6135121

Name [?]:

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

SMILES [?]:

Cc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3ccccc3)S2)CCc4ccc(cc4)OC

InChi [?]:

InChI=1/C27H27N3O3S/c1-19-7-6-10-22(17-19)28-26(32)24-18-25(31)30(16-15-20-11-13-23(33-2)14-12-20)27(34-24)29-21-8-4-3-5-9-21/h3-14,17,24H,15-16,18H2,1-2H3,(H,28,32)

InChi Info:

AuxInfo=1/1/N:1,34,21,20,22,4,3,19,23,5,28,32,29,31,26,25,7,12,2,27,18,6,30,11,13,9,16,8,17,15,14,10,33,24/E:(4,5)(8,9)(11,12)(13,14)/rA:34cCCCCCCCNCOCCCONCNCCCCCCSCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s11s16;s15;s25;s26;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₇N₃O₃S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	12.4478
Area:	699.216
Solvation:	-5.03264
Coulombic:	-51.048

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	473.588
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.08
LogP (Chemaxon):	6.12

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