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Chemical ID: 4162963

Chemical ID:

4162963

Name [?]:

methyl 2-amino-5-methyl-4-(p-tolyl)thiophene-3-carboxylate

SMILES [?]:

Cc1ccc(cc1)c2c(sc(c2C(=O)OC)N)C

InChi [?]:

InChI=1/C14H15NO2S/c1-8-4-6-10(7-5-8)11-9(2)18-13(15)12(11)14(16)17-3/h4-7H,15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,18,16,3,7,4,6,2,9,5,8,12,11,13,17,14,15,10/E:(4,5)(6,7)/rA:18nCCCCCCCCCSCCCOOCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s12;d13;s13;s15;s11;s9;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₅NO₂S
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	9.22891
Area:	438.05
Solvation:	-1.72235
Coulombic:	-37.9435

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	261.34
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.06
LogP (Chemaxon):	3.2

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