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Chemical ID: 4203294

Chemical ID:

4203294

Name [?]:

N-[(4-methyl-2-pyridyl)thiocarbamoyl]-4-propoxy-benzamide

SMILES [?]:

CCCOc1ccc(cc1)C(=O)NC(=S)Nc2cc(ccn2)C

InChi [?]:

InChI=1/C17H19N3O2S/c1-3-10-22-14-6-4-13(5-7-14)16(21)20-17(23)19-15-11-12(2)8-9-18-15/h4-9,11H,3,10H2,1-2H3,(H2,18,19,20,21,23)

InChi Info:

AuxInfo=1/1/N:1,23,2,7,9,6,10,20,21,3,18,19,8,5,17,11,14,22,16,13,12,4,15/E:(4,5)(6,7)/rA:23nCCCOCCCCCCCONCSNCCCCCNC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉N₃O₂S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.63797
Area:	551.603
Solvation:	-4.15211
Coulombic:	-45.418

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	329.418
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.05
LogP (Chemaxon):	3.98

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