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Chemical ID: 6135427

CCOc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)Cc4ccc(cc4)Cl

Chemical ID:

6135427

Name [?]:

3-[(4-chlorophenyl)methyl]-N-(3-ethoxyphenyl)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide

SMILES [?]:

CCOc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)Cc4ccc(cc4)Cl

InChi [?]:

InChI=1/C26H23ClFN3O3S/c1-2-34-22-5-3-4-21(14-22)29-25(33)23-15-24(32)31(16-17-6-8-18(27)9-7-17)26(35-23)30-20-12-10-19(28)11-13-20/h3-14,23H,2,15-16H2,1H3,(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,2,6,7,5,30,34,31,33,22,24,21,25,9,14,28,29,32,23,20,8,4,13,15,11,18,35,26,10,19,17,16,12,3,27/E:(6,7)(8,9)(10,11)(12,13)/rA:35cCCOCCCCCCNCOCCCONCNCCCCCCFSCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s23;s13s18;s17;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃ClFN₃O₃S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	12.4505
Area:	725.215
Solvation:	-5.67989
Coulombic:	-54.1257

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	511.996
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.69
LogP (Chemaxon):	6.4

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

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Chemical Mix	Source	External ID	Descriptor	Value