ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7717238

Chemical ID:

7717238

Name [?]:

None

SMILES [?]:

CC(C)(C)C1CCc2c(sc3n2cc(n3)c4ccccc4)C1

InChi [?]:

InChI=1/C19H22N2S/c1-19(2,3)14-9-10-16-17(11-14)22-18-20-15(12-21(16)18)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,4,19,18,20,17,21,6,7,22,13,16,5,14,8,9,11,2,15,12,10/E:(1,2,3)(5,6)(7,8)/rA:22cCCCCCCCCCSCNCCNCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8s11;s12;d13;d11s14;s14;s16;d17;s18;d19;d16s20;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂N₂S
All Atoms:	44
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	11.2753
Area:	504.339
Solvation:	-1.33314
Coulombic:	-15.1184

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.7
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

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Chemical Mix	Source	External ID	Descriptor	Value