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Chemical ID: 6136570

c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3ccc(cc3)Cl)C(=O)Nc4ccccc4Cl

Chemical ID:

6136570

Name [?]:

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

SMILES [?]:

c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3ccc(cc3)Cl)C(=O)Nc4ccccc4Cl

InChi [?]:

InChI=1/C26H23Cl2N3O2S/c27-19-12-14-20(15-13-19)29-26-31(16-6-9-18-7-2-1-3-8-18)24(32)17-23(34-26)25(33)30-22-11-5-4-10-21(22)28/h1-5,7-8,10-15,23H,6,9,16-17H2,(H,30,33)

InChi Info:

AuxInfo=1/1/N:1,2,6,31,30,8,3,5,7,32,29,20,22,19,23,9,13,4,21,18,33,28,14,11,25,16,24,34,17,27,10,12,26,15/E:(2,3)(7,8)(12,13)(14,15)/rA:34cCCCCCCCCCNCOCCSCNCCCCCCClCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;s14;s10s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s14;d25;s25;s27;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃Cl₂N₃O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	15.0738
Area:	746.704
Solvation:	-3.59376
Coulombic:	-45.6574

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	512.451
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.33
LogP (Chemaxon):	6.68

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

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Chemical Mix	Source	External ID	Descriptor	Value