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Chemical ID: 6135869

c1ccc(cc1)CCN2C(=O)CC(SC2=Nc3ccc(cc3)Cl)C(=O)Nc4ccccc4

Chemical ID:

6135869

Name [?]:

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

SMILES [?]:

c1ccc(cc1)CCN2C(=O)CC(SC2=Nc3ccc(cc3)Cl)C(=O)Nc4ccccc4

InChi [?]:

InChI=1/C25H22ClN3O2S/c26-19-11-13-21(14-12-19)28-25-29(16-15-18-7-3-1-4-8-18)23(30)17-22(32-25)24(31)27-20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,30,2,6,29,31,3,5,28,32,19,21,18,22,7,8,12,4,20,27,17,13,10,24,15,23,26,16,9,11,25,14/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32cCCCCCCCCNCOCCSCNCCCCCCClCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s9s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s13;d24;s24;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂ClN₃O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	13.0798
Area:	673.111
Solvation:	-3.74796
Coulombic:	-44.8306

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	463.98
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.35
LogP (Chemaxon):	6.42

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