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Chemical ID: 6360968
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
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Experimental Annotations
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Descriptor Annotations
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