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Chemical ID: 3907899

Chemical ID:

3907899

Name [?]:

4-amino-N-(2-thienylmethyl)benzamide

SMILES [?]:

c1cc(sc1)CNC(=O)c2ccc(cc2)N

InChi [?]:

InChI=1/C12H12N2OS/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h1-7H,8,13H2,(H,14,15)

InChi Info:

AuxInfo=1/1/N:1,2,11,15,12,14,5,6,10,13,3,8,16,7,9,4/E:(3,4)(5,6)/rA:16nCCCSCCNCOCCCCCCN/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₂N₂OS
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	8.65065
Area:	426.992
Solvation:	-2.02415
Coulombic:	-39.9049

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	232.303
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	1.38
LogP (Chemaxon):	1.35

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