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Chemical ID: 7666281

c1cc(c(cc1Cl)Cl)C2CC(=O)N(C3=C2C(=O)CCC3)c4c(c5c(s4)CCCCC5)C#N

Chemical ID:

7666281

Name [?]:

None

SMILES [?]:

c1cc(c(cc1Cl)Cl)C2CC(=O)N(C3=C2C(=O)CCC3)c4c(c5c(s4)CCCCC5)C#N

InChi [?]:

InChI=1/C25H22Cl2N2O2S/c26-14-9-10-15(19(27)11-14)17-12-23(31)29(20-6-4-7-21(30)24(17)20)25-18(13-28)16-5-2-1-3-8-22(16)32-25/h9-11,17H,1-8,12H2

InChi Info:

AuxInfo=1/0/N:28,29,27,19,30,20,18,26,1,2,5,10,31,6,3,23,9,22,4,14,16,24,11,15,21,7,8,32,13,17,12,25/rA:32cCCCCCCClClCCCONCCCOCCCCCCCSCCCCCCN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;d11;s11;s13;s9d14;s15;d16;s16;s18;s14s19;s13;d21;s22;d23;s21s24;s24;s26;s27;s28;s23s29;s22;t31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂Cl₂N₂O₂S
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	13.0813
Area:	656.603
Solvation:	-3.33375
Coulombic:	-27.0586

Bond Count [?]

All:	36
Single:	27
Double:	8
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.85
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value