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Chemical ID: 6136475

c1ccc(cc1)CCNC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)Cl)S2)Cc4ccccc4

Chemical ID:

6136475

Name [?]:

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

SMILES [?]:

c1ccc(cc1)CCNC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)Cl)S2)Cc4ccccc4

InChi [?]:

InChI=1/C26H24ClN3O2S/c27-21-11-13-22(14-12-21)29-26-30(18-20-9-5-2-6-10-20)24(31)17-23(33-26)25(32)28-16-15-19-7-3-1-4-8-19/h1-14,23H,15-18H2,(H,28,32)

InChi Info:

AuxInfo=1/1/N:1,31,2,6,30,32,3,5,29,33,21,23,20,24,7,8,13,27,4,28,22,19,12,14,10,17,25,9,18,16,15,11,26/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:33cCCCCCCCCNCOCCCONCNCCCCCCClSCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s12s17;s16;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄ClN₃O₂S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	14.0191
Area:	712.593
Solvation:	-3.79576
Coulombic:	-45.9941

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	478.006
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.49
LogP (Chemaxon):	6.04

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