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Chemical ID: 3944881

Chemical ID:

3944881

Name [?]:

1-[1-[(5-chloro-2-thienyl)sulfonyl]-4-piperidyl]azepane

SMILES [?]:

c1cc(sc1S(=O)(=O)N2CCC(CC2)N3CCCCCC3)Cl

InChi [?]:

InChI=1/C15H23ClN2O2S2/c16-14-5-6-15(21-14)22(19,20)18-11-7-13(8-12-18)17-9-3-1-2-4-10-17/h5-6,13H,1-4,7-12H2

InChi Info:

AuxInfo=1/0/N:18,19,17,20,2,1,11,13,16,21,10,14,12,3,5,22,15,9,7,8,4,6/E:(1,2)(3,4)(7,8)(9,10)(11,12)(19,20)/CRV:22.6/rA:22nCCCSCSOONCCCCCNCCCCCCCl/rB:s1;d2;s3;d1s4;s5;d6;d6;s6;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;s19;s15s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₃ClN₂O₂S₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1345
Area:	534.681
Solvation:	-2.23253
Coulombic:	-13.6365

Bond Count [?]

All:	24
Single:	20
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	362.94
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.04
LogP (Chemaxon):	2.3

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