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Chemical ID: 4150846
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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