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Chemical ID: 6135420

CCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)Cc4ccc(cc4)Cl

Chemical ID:

6135420

Name [?]:

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

SMILES [?]:

CCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)Cc4ccc(cc4)Cl

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,30,34,31,33,22,24,21,25,6,8,5,9,14,28,29,32,23,7,20,4,13,15,11,18,35,26,10,19,17,16,12,3,27/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:35cCCOCCCCCCNCOCCCONCNCCCCCCFSCCCCCCCCl/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;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:	12.4113
Area:	726.993
Solvation:	-5.76349
Coulombic:	-53.951

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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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value