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Chemical ID: 6135474

CCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccccc3)S2)Cc4ccccc4

Chemical ID:

6135474

Name [?]:

3-benzyl-N-(4-ethoxyphenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccccc3)S2)Cc4ccccc4

InChi [?]:

InChI=1/C26H25N3O3S/c1-2-32-22-15-13-21(14-16-22)27-25(31)23-17-24(30)29(18-19-9-5-3-6-10-19)26(33-23)28-20-11-7-4-8-12-20/h3-16,23H,2,17-18H2,1H3,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,2,31,23,30,32,22,24,29,33,21,25,6,8,5,9,14,27,28,20,7,4,13,15,11,18,10,19,17,16,12,3,26/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:33cCCOCCCCCCNCOCCCONCNCCCCCCSCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s13s18;s17;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅N₃O₃S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	12.2911
Area:	684.251
Solvation:	-4.81521
Coulombic:	-51.3636

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	459.561
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.91
LogP (Chemaxon):	5.74

Name Annotations

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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