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Chemical ID: 7244820

Chemical ID:

7244820

Name [?]:

9-imino-10-(4-methylthiazol-2-yl)-7-sulfanyl-8-azaspiro[4.5]dec-6-ene-6-carbonitrile

SMILES [?]:

Cc1csc(n1)C2C(=N)NC(=C(C23CCCC3)C#N)S

InChi [?]:

InChI=1/C14H16N4S2/c1-8-7-20-13(17-8)10-11(16)18-12(19)9(6-15)14(10)4-2-3-5-14/h7,10,19H,2-5H2,1H3,(H2,16,18)

InChi Info:

AuxInfo=1/1/N:1,15,16,14,17,18,3,2,12,7,8,11,5,13,19,9,6,10,20,4/E:(2,3)(4,5)/rA:20cCCCSCNCCNNCCCCCCCCNS/rB:s1;d2;s3;s4;s2d5;s5;s7;w8;s8;s10;d11;s7s12;s13;s14;s15;s13s16;s12;t18;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₄S₂
All Atoms:	36
Heavy Atoms:	20
Chiral Atoms:	1

ZAP Information [?]

Total:	8.94904
Area:	456.75
Solvation:	-2.4697
Coulombic:	-31.9396

Bond Count [?]

All:	22
Single:	17
Double:	4
Rotors:	1
Chiral:	1
Rigid Segments:	2

Chemical Properties

Molecular Weight:	304.436
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.63
LogP (Chemaxon):	2.78

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