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Chemical ID: 6136549

c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4)F

Chemical ID:

6136549

Name [?]:

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

SMILES [?]:

c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4)F

InChi [?]:

InChI=1/C26H23ClFN3O2S/c27-19-8-12-22(13-9-19)30-26-31(16-4-7-18-5-2-1-3-6-18)24(32)17-23(34-26)25(33)29-21-14-10-20(28)11-15-21/h1-3,5-6,8-15,23H,4,7,16-17H2,(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,2,6,8,3,5,7,20,22,30,32,19,23,29,33,9,13,4,21,31,28,18,14,11,25,16,24,34,27,17,10,12,26,15/E:(2,3)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:34cCCCCCCCCCNCOCCSCNCCCCCCClCONCCCCCCF/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;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃ClFN₃O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	13.362
Area:	723.11
Solvation:	-4.71573
Coulombic:	-47.7302

Bond Count [?]

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

Chemical Properties

Molecular Weight:	495.997
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.87
LogP (Chemaxon):	6.96

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