Chemical ID: 4196547

Cc1ccc(c(c1)c2csc(c2C(=O)OC(C)C)N)C
Chemical ID:
4196547
Name [?]:
isopropyl 2-amino-4-(2,5-dimethylphenyl)-thiophene-3-carboxylate
SMILES [?]:
Cc1ccc(c(c1)c2csc(c2C(=O)OC(C)C)N)C
InChi [?]:
InChI=1/C16H19NO2S/c1-9(2)19-16(18)14-13(8-20-15(14)17)12-7-10(3)5-6-11(12)4/h5-9H,17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:17,18,1,20,3,4,7,9,16,2,5,6,8,12,11,13,19,14,15,10/E:(1,2)/rA:20nCCCCCCCCCSCCCOOCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s10;s8d11;s12;d13;s13;s15;s16;s16;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.2046
Area:474.089
Solvation:-1.64763
Coulombic:-38.3519
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.394
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.53
LogP (Chemaxon):4.43

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Descriptor Annotations

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