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Chemical ID: 4150784
Chemical ID:
4150784
Name [?]:
2-ethoxyethyl 4-(2-furylcarbonylamino)benzoate
SMILES [?]:
CCOCCOC(=O)c1ccc(cc1)NC(=O)c2ccco2
InChi [?]:
InChI=1/C16H17NO5/c1-2-20-10-11-22-16(19)12-5-7-13(8-6-12)17-15(18)14-4-3-9-21-14/h3-9H,2,10-11H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,10,14,11,13,21,4,5,9,12,18,16,7,15,17,8,3,22,6/E:(5,6)(7,8)/rA:22nCCOCCOCOCCCCCCNCOCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.75516 |
Area: | 538.032 |
Solvation: | -4.69564 |
Coulombic: | -57.4085 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 303.31 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.86 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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