ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7695350

Chemical ID:

7695350

Name [?]:

None

SMILES [?]:

Cc1cc(cc(c1)N=C2NC(=O)C(=Cc3ccccc3)S2)C

InChi [?]:

InChI=1/C18H16N2OS/c1-12-8-13(2)10-15(9-12)19-18-20-17(21)16(22-18)11-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)

InChi Info:

AuxInfo=1/1/N:1,22,18,17,19,16,20,3,7,5,14,2,4,15,6,13,11,9,8,10,12,21/E:(1,2)(4,5)(6,7)(9,10)(12,13)/rA:22nCCCCCCCNCNCOCCCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s9s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₆N₂OS
All Atoms:	38
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	10.7478
Area:	502.142
Solvation:	-1.80575
Coulombic:	-30.511

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.97
LogP (Chemaxon):	None

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

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

Chemical Mix	Source	External ID	Descriptor	Value