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Chemical ID: 4941368

Chemical ID:

4941368

Name [?]:

1-methyl-3,5-bis(2-thienylmethylene)piperidin-4-ol

SMILES [?]:

CN1CC(=Cc2cccs2)C(C(=Cc3cccs3)C1)O

InChi [?]:

InChI=1/C16H17NOS2/c1-17-10-12(8-14-4-2-6-19-14)16(18)13(11-17)9-15-5-3-7-20-15/h2-9,16,18H,10-11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,8,16,7,15,9,17,5,13,3,19,4,12,6,14,11,2,20,10,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(19,20)/rA:20nCNCCCCCCCSCCCCCCCSCO/rB:s1;s2;s3;w4;s5;d6;s7;d8;s6s9;s4;s11;w12;s13;d14;s15;d16;s14s17;s2s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇NOS₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.1341
Area:	472.691
Solvation:	-2.68319
Coulombic:	-24.439

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	2
Chiral:	2
Rigid Segments:	3

Chemical Properties

Molecular Weight:	303.444
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	0.73
LogP (Chemaxon):	2.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value