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Chemical ID: 6136558

c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3ccc(cc3)Cl)C(=O)NCCc4ccccc4

Chemical ID:

6136558

Name [?]:

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

SMILES [?]:

c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3ccc(cc3)Cl)C(=O)NCCc4ccccc4

InChi [?]:

InChI=1/C28H28ClN3O2S/c29-23-13-15-24(16-14-23)31-28-32(19-7-12-21-8-3-1-4-9-21)26(33)20-25(35-28)27(34)30-18-17-22-10-5-2-6-11-22/h1-6,8-11,13-16,25H,7,12,17-20H2,(H,30,34)

InChi Info:

AuxInfo=1/1/N:1,33,2,6,32,34,8,3,5,31,35,7,20,22,19,23,29,28,9,13,4,30,21,18,14,11,25,16,24,27,17,10,12,26,15/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:35cCCCCCCCCCNCOCCSCNCCCCCCClCONCCCCCCCC/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;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₈ClN₃O₂S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	15.4795
Area:	776.591
Solvation:	-3.93532
Coulombic:	-46.2189

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	506.06
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.01
LogP (Chemaxon):	6.69

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value