Chemical ID: 6360968

CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)C
Chemical ID:
6360968
Name [?]:
propyl 4-[(5-methyl-2-furyl)carbonylamino]benzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)C
InChi [?]:
InChI=1/C16H17NO4/c1-3-10-20-16(19)12-5-7-13(8-6-12)17-15(18)14-9-4-11(2)21-14/h4-9H,3,10H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,2,18,8,12,9,11,17,3,19,7,10,16,14,5,13,15,6,4,20/E:(5,6)(7,8)/rA:21nCCCOCOCCCCCCNCOCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;d16;s17;d18;s16s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1388
Area:515.145
Solvation:-2.73981
Coulombic:-50.4696
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:287.311
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.65
LogP (Chemaxon):2.42

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue