Chemical ID: 4147401

COC(=O)c1ccc(cc1)NC(=O)c2cc3ccccc3o2
Chemical ID:
4147401
Name [?]:
methyl 4-benzofuran-2-ylcarbonylaminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)NC(=O)c2cc3ccccc3o2
InChi [?]:
InChI=1/C17H13NO4/c1-21-17(20)11-6-8-13(9-7-11)18-16(19)15-10-12-4-2-3-5-14(12)22-15/h2-10H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,20,6,10,7,9,15,5,16,8,21,14,12,3,11,13,4,2,22/E:(6,7)(8,9)/rA:22nCOCOCCCCCCNCOCCCCCCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;d14;s15;s16;d17;s18;d19;d16s20;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.69184
Area:500.534
Solvation:-2.82151
Coulombic:-51.5637
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.289
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.99
LogP (Chemaxon):2.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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