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Chemical ID: 6135546

c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3ccccc3)C(=O)Nc4cc(cc(c4)Cl)Cl

Chemical ID:

6135546

Name [?]:

N-(3,5-dichlorophenyl)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide

SMILES [?]:

c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3ccccc3)C(=O)Nc4cc(cc(c4)Cl)Cl

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,21,2,6,20,22,8,3,5,7,19,23,9,30,28,32,13,4,29,31,18,27,14,11,24,16,34,33,26,17,10,12,25,15/E:(3,4)(5,6)(8,9)(11,12)(15,16)(19,20)(27,28)/rA:34cCCCCCCCCCNCOCCSCNCCCCCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;s14;s10s15;w16;s17;s18;d19;s20;d21;d18s22;s14;d24;s24;s26;s27;d28;s29;d30;d27s31;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	15.0185
Area:	751.399
Solvation:	-3.76652
Coulombic:	-44.9415

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):	7.33

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