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Chemical ID: 6135430

Cc1ccc(cc1Cl)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)Cc4ccc(cc4)Cl

Chemical ID:

6135430

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1Cl)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)Cc4ccc(cc4)Cl

InChi [?]:

InChI=1/C25H20Cl2FN3O2S/c1-15-2-9-20(12-21(15)27)29-24(33)22-13-23(32)31(14-16-3-5-17(26)6-4-16)25(34-22)30-19-10-7-18(28)8-11-19/h2-12,22H,13-14H2,1H3,(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,3,29,33,30,32,21,23,4,20,24,6,13,27,2,28,31,22,19,5,7,12,14,10,17,34,8,25,9,18,16,15,11,26/E:(3,4)(5,6)(7,8)(10,11)/rA:34cCCCCCCCClNCOCCCONCNCCCCCCFSCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;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:	C₂₅H₂₀Cl₂FN₃O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.2874
Area:	713.607
Solvation:	-4.55276
Coulombic:	-47.485

Bond Count [?]

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

Chemical Properties

Molecular Weight:	516.415
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.2
LogP (Chemaxon):	7.29

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value