Chemical ID: 4150846

CCCOC(=O)c1cccc(c1)NC(=O)c2cccs2
Chemical ID:
4150846
Name [?]:
propyl 3-(2-thienylcarbonylamino)benzoate
SMILES [?]:
CCCOC(=O)c1cccc(c1)NC(=O)c2cccs2
InChi [?]:
InChI=1/C15H15NO3S/c1-2-8-19-15(18)11-5-3-6-12(10-11)16-14(17)13-7-4-9-20-13/h3-7,9-10H,2,8H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,9,18,8,10,17,3,19,12,7,11,16,14,5,13,15,6,4,20/rA:20nCCCOCOCCCCCCNCOCCCCS/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15NO3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.2337
Area:504.238
Solvation:-2.37228
Coulombic:-43.307
Bond Count [?]
All:21
Single:14
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:289.351
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.74
LogP (Chemaxon):2.88

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Descriptor Annotations

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