Chemical ID: 6049941

Cc1ccc(cc1C)NC(=O)c2cc3c(n2Cc4ccc(cc4)F)cco3
Chemical ID:
6049941
Name [?]:
N-(3,4-dimethylphenyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6-azabicyclo[3.3.0]octa-3,7,9-triene-7-carboxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)c2cc3c(n2Cc4ccc(cc4)F)cco3
InChi [?]:
InChI=1/C22H19FN2O2/c1-14-3-8-18(11-15(14)2)24-22(26)20-12-21-19(9-10-27-21)25(20)13-16-4-6-17(23)7-5-16/h3-12H,13H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,8,3,19,23,20,22,4,25,26,6,13,17,2,7,18,21,5,15,12,14,10,24,9,16,11,27/E:(4,5)(6,7)/rA:27nCCCCCCCCNCOCCCCNCCCCCCCFCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s13;d14;s12s15;s16;s17;s18;d19;s20;d21;d18s22;s21;s15;d25;s14s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19FN2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.0787
Area:557.353
Solvation:-3.85512
Coulombic:-40.6057
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.397
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.23
LogP (Chemaxon):5.94

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