ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7668786

Chemical ID:

7668786

Name [?]:

None

SMILES [?]:

CSc1[nH]c(=O)c2c(n1)NC(=O)CC2c3ccccc3

InChi [?]:

InChI=1/C14H13N3O2S/c1-20-14-16-12-11(13(19)17-14)9(7-10(18)15-12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,15,16,17,18,19)

InChi Info:

AuxInfo=1/1/N:1,18,17,19,16,20,13,15,14,11,7,8,5,3,10,9,4,12,6,2/E:(3,4)(5,6)/rA:20cCSCNCOCCNNCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;d7;d3s8;s8;s10;d11;s11;s7s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₃N₃O₂S
All Atoms:	33
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	8.28208
Area:	446.116
Solvation:	-2.87081
Coulombic:	-46.4292

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.6
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