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Chemical ID: 6919927

Chemical ID:

6919927

Name [?]:

3-(4-hexoxy-1,2,5-thiadiazol-3-yl)-1-methyl-5,6-dihydro-2H-pyridine

SMILES [?]:

CCCCCCOc1c(nsn1)C2=CCCN(C2)C

InChi [?]:

InChI=1/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,2,3,4,5,15,14,16,6,18,13,9,8,10,12,17,7,11/rA:19cCCCCCCOCCNSNCCCCNCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d8s11;s9;d13;s14;s15;s16;s13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₃N₃OS
All Atoms:	42
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	11.1734
Area:	499.293
Solvation:	-1.30897
Coulombic:	-24.4119

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	281.418
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.3
LogP (Chemaxon):	3.25

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