Chemical ID: 7429091

CCOc1ccccc1NC(=O)C2Cc3ccccc3C(=O)O2
Chemical ID:
7429091
Name [?]:
N-(2-ethoxyphenyl)-1-oxo-isochroman-3-carboxamide
SMILES [?]:
CCOc1ccccc1NC(=O)C2Cc3ccccc3C(=O)O2
InChi [?]:
InChI=1/C18H17NO4/c1-2-22-15-10-6-5-9-14(15)19-17(20)16-11-12-7-3-4-8-13(12)18(21)23-16/h3-10,16H,2,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,7,6,16,19,8,5,14,15,20,9,4,13,11,21,10,12,22,3,23/rA:23cCCOCCCCCCNCOCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO4
All Atoms:40
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.21922
Area:514.273
Solvation:-4.63759
Coulombic:-48.9094
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.332
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.98
LogP (Chemaxon):2.94

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