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Chemical ID: 7528826

Chemical ID:

7528826

Name [?]:

7,8-dimethyl-5-(3-methyl-1-piperidyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraene

SMILES [?]:

Cc1c(sc2c1c(ncn2)N3CCCC(C3)C)C

InChi [?]:

InChI=1/C14H19N3S/c1-9-5-4-6-17(7-9)13-12-10(2)11(3)18-14(12)16-8-15-13/h8-9H,4-7H2,1-3H3

InChi Info:

AuxInfo=1/0/N:17,1,18,13,14,12,16,9,15,2,3,6,7,5,8,10,11,4/rA:18cCCCSCCCNCNNCCCCCCC/rB:s1;d2;s3;s4;s2s5;d6;s7;d8;d5s9;s7;s11;s12;s13;s14;s11s15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉N₃S
All Atoms:	37
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	9.65838
Area:	428.688
Solvation:	-1.05882
Coulombic:	-18.8733

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	1
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.69
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