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Chemical ID: 6571189

CN(C(=O)c1cccc(c1)OC)C2(CCCC(=Cc3cccs3)C2=O)c4ccccc4Cl

Chemical ID:

6571189

Name [?]:

N-[1-(2-chlorophenyl)-2-oxo-3-(2-thienylmethylene)cyclohexyl]-3-methoxy-N-methyl-benzamide

SMILES [?]:

CN(C(=O)c1cccc(c1)OC)C2(CCCC(=Cc3cccs3)C2=O)c4ccccc4Cl

InChi [?]:

InChI=1/C26H24ClNO3S/c1-28(25(30)19-8-5-10-20(16-19)31-2)26(22-12-3-4-13-23(22)27)14-6-9-18(24(26)29)17-21-11-7-15-32-21/h3-5,7-8,10-13,15-17H,6,9,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,12,28,29,7,15,21,6,16,8,20,27,30,14,22,10,18,17,5,9,19,26,31,24,3,13,32,2,25,4,11,23/rA:32cCNCOCCCCCCOCCCCCCCCCCCSCOCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;s2;s13;s14;s15;s16;w17;s18;d19;s20;d21;s19s22;s13s17;d24;s13;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄ClNO₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.6862
Area:	634.364
Solvation:	-5.17285
Coulombic:	-36.2838

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	6
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	465.992
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.87
LogP (Chemaxon):	5.7

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