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Chemical ID: 6136000

Cc1ccc(c(c1)C)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)CCc4ccccc4

Chemical ID:

6136000

Name [?]:

2-(3-chlorophenyl)imino-N-(2,4-dimethylphenyl)-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide

SMILES [?]:

Cc1ccc(c(c1)C)NC(=O)C2CC(=O)N(C(=Nc3cccc(c3)Cl)S2)CCc4ccccc4

InChi [?]:

InChI=1/C27H26ClN3O2S/c1-18-11-12-23(19(2)15-18)30-26(33)24-17-25(32)31(14-13-20-7-4-3-5-8-20)27(34-24)29-22-10-6-9-21(28)16-22/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,30,33)

InChi Info:

AuxInfo=1/1/N:1,8,32,31,33,21,30,34,22,20,3,4,28,27,7,24,13,2,6,29,23,19,5,12,14,10,17,25,18,9,16,15,11,26/E:(4,5)(7,8)/rA:34cCCCCCCCCNCOCCCONCNCCCCCCClSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;s12s17;s16;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₆ClN₃O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	14.2069
Area:	714.842
Solvation:	-3.66418
Coulombic:	-44.5822

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	492.033
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.01
LogP (Chemaxon):	6.7

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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