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Chemical ID: 6136452

Cc1ccc(c(c1)C)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)Cl)S2)Cc4ccc(cc4)F

Chemical ID:

6136452

Name [?]:

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

SMILES [?]:

Cc1ccc(c(c1)C)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)Cl)S2)Cc4ccc(cc4)F

InChi [?]:

InChI=1/C26H23ClFN3O2S/c1-16-3-12-22(17(2)13-16)30-25(33)23-14-24(32)31(15-18-4-8-20(28)9-5-18)26(34-23)29-21-10-6-19(27)7-11-21/h3-13,23H,14-15H2,1-2H3,(H,30,33)

InChi Info:

AuxInfo=1/1/N:1,8,3,29,33,21,23,30,32,20,24,4,7,13,27,2,6,28,22,31,19,5,12,14,10,17,25,34,18,9,16,15,11,26/E:(4,5)(6,7)(8,9)(10,11)/rA:34cCCCCCCCCNCOCCCONCNCCCCCCClSCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s12s17;s16;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃ClFN₃O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.101
Area:	703.7
Solvation:	-4.49151
Coulombic:	-47.4409

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	495.997
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.01
LogP (Chemaxon):	6.59

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